[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride

C5H10ClF2NO — CID 74890069

IUPAC[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)1-4(2-9)8-3-5;/h4,8-9H,1-3H2;1H/t4-;/m0./s1
InChIKeyJWAVXSQHRZARDV-WCCKRBBISA-N
MW173.59 g/mol
LogP0.40
Rot. Bonds1

About [(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride

[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 74890069) has the molecular formula C5H10ClF2NO and a molecular weight of 173.59 g/mol. Its IUPAC name is [(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride
PubChem CID74890069
Molecular FormulaC5H10ClF2NO
Molecular Weight173.59 g/mol
Exact Mass173.04
IUPAC Name[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)1-4(2-9)8-3-5;/h4,8-9H,1-3H2;1H/t4-;/m0./s1
InChIKeyJWAVXSQHRZARDV-WCCKRBBISA-N
XLogP0.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.59
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride (CID 74890069) is [(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride is Cl.OC[C@@H]1CC(F)(F)CN1.
What is the InChIKey of [(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is JWAVXSQHRZARDV-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9F2NO.ClH/c6-5(7)1-4(2-9)8-3-5;/h4,8-9H,1-3H2;1H/t4-;/m0./s1.
What are the key properties of [(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride?
[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 173.59 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 74890069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).