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

C5H11ClFNO — CID 67295474

IUPAC[(2S,4S)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C5H10FNO.ClH/c6-4-1-5(3-8)7-2-4;/h4-5,7-8H,1-3H2;1H/t4-,5-;/m0./s1
InChIKeyMCSMAEKVMQAPIQ-FHAQVOQBSA-N
MW155.60 g/mol
LogP0.10
Rot. Bonds1

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

[(2S,4S)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 67295474) has the molecular formula C5H11ClFNO and a molecular weight of 155.60 g/mol. Its IUPAC name is [(2S,4S)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2S,4S)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride
PubChem CID67295474
Molecular FormulaC5H11ClFNO
Molecular Weight155.60 g/mol
Exact Mass155.05
IUPAC Name[(2S,4S)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C5H10FNO.ClH/c6-4-1-5(3-8)7-2-4;/h4-5,7-8H,1-3H2;1H/t4-,5-;/m0./s1
InChIKeyMCSMAEKVMQAPIQ-FHAQVOQBSA-N
XLogP0.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.60
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 640091
Prolinol, (R)-
CID 2724541
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CID 90908
(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol
CID 509190
Pyrrolidine-2,5-diyldimethanol
CID 14353894
(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol hydrochloride
CID 53487134
(2S,3S)-2-(hydroxymethyl)pyrrolidin-3-ol hydrochloride
CID 86683343
1-(Pyrrolidin-2-yl)ethan-1-ol
CID 10129930
2-Pyrrolidinemethanol, 3-hydroxy-, hydrochloride, (2R,3S)-
CID 15607344
1-[(2R)-pyrrolidin-2-yl]ethan-1-ol
CID 55299031
rac-((2R,5R)-5-methylpyrrolidin-2-yl)methanol
CID 66625258
[(2S,5R)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol hydrochloride
CID 67022047

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2S,4S)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride (CID 67295474) is [(2S,4S)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2S,4S)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2S,4S)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride is Cl.OC[C@@H]1C[C@H](F)CN1.
What is the InChIKey of [(2S,4S)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is MCSMAEKVMQAPIQ-FHAQVOQBSA-N. The full InChI is InChI=1S/C5H10FNO.ClH/c6-4-1-5(3-8)7-2-4;/h4-5,7-8H,1-3H2;1H/t4-,5-;/m0./s1.
What are the key properties of [(2S,4S)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride?
[(2S,4S)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 155.60 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 67295474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).