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

C5H11ClFNO — CID 67293842

IUPAC[(2S,4R)-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+;/m1./s1
InChIKeyMCSMAEKVMQAPIQ-JBUOLDKXSA-N
MW155.60 g/mol
LogP0.10
Rot. Bonds1

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

[(2S,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 67293842) has the molecular formula C5H11ClFNO and a molecular weight of 155.60 g/mol. Its IUPAC name is [(2S,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2S,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride
PubChem CID67293842
Molecular FormulaC5H11ClFNO
Molecular Weight155.60 g/mol
Exact Mass155.05
IUPAC Name[(2S,4R)-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+;/m1./s1
InChIKeyMCSMAEKVMQAPIQ-JBUOLDKXSA-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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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2S,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride (CID 67293842) is [(2S,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2S,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2S,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride is Cl.OC[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of [(2S,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is MCSMAEKVMQAPIQ-JBUOLDKXSA-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+;/m1./s1.
What are the key properties of [(2S,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride?
[(2S,4R)-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,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 67293842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).