| CAS Number | 1419101-39-5 |
| Catalog Number | AG001HCN(AGN-PC-0WCJAR) |
| Chemical Name | 3-(fluoromethyl)pyrrolidin-3-ol hydrochloride |
| IUPAC Name | 3-(fluoromethyl)pyrrolidin-3-ol;hydrochloride |
| InChI | InChI=1S/C5H10FNO.ClH/c6-3-5(8)1-2-7-4-5;/h7-8H,1-4H2;1H |
| InChI Key | JSSXLVBXVFEBPS-UHFFFAOYSA-N |
| MDL Number | MFCD23106440 |
| Molecular Formula | C5H11ClFNO |
| Molecular Weight | 155.5983 |
| SMILES | Cl.OC1(CF)CCNC1 |
| Synonyms | 1419101-39-5,
3-(fluoromethyl)pyrrolidin-3-ol hydrochloride,
3-(Fluoromethyl)-3-hydroxypyrrolidine HCl,
3-(Fluoromethyl)-3-hydroxypyrrolidine hydrochloride,
MFCD23106440,
PB38621,
SB10854,
KS-0000044Z,
AK170824,
AS-33863,
CS-0051689,
3-Pyrrolidinol, 3-(fluoromethyl)-, hydrochloride (1:1),
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| Complexity | 88.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.597g/mol |
| Monoisotopic Mass | 155.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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