[4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol

C11H13ClFNO — CID 71831040

IUPAC[4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol
SMILESOCC1CNCC1c1ccc(Cl)cc1F
InChIInChI=1S/C11H13ClFNO/c12-8-1-2-9(11(13)3-8)10-5-14-4-7(10)6-15/h1-3,7,10,14-15H,4-6H2
InChIKeyQDJOTQAOTNWMDE-UHFFFAOYSA-N
MW229.68 g/mol
LogP1.77
Rot. Bonds2

About [4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol

[4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol (PubChem CID 71831040) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is [4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol
PubChem CID71831040
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name[4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol
SMILESOCC1CNCC1c1ccc(Cl)cc1F
InChIInChI=1S/C11H13ClFNO/c12-8-1-2-9(11(13)3-8)10-5-14-4-7(10)6-15/h1-3,7,10,14-15H,4-6H2
InChIKeyQDJOTQAOTNWMDE-UHFFFAOYSA-N
XLogP1.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,4R)-4-(2-fluorophenyl)pyrrolidin-3-yl]methanol
CID 25220547
[(3R,4R)-4-(2-chloro-4-methylphenyl)pyrrolidin-3-yl]methanol
CID 129493656
[(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol
CID 129408298
[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 122163804
[(3S,4R)-4-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 129009069
(3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine
CID 70647904
(2S)-2-(4-chloro-2-fluorophenyl)aziridine
CID 55264086
(3R,4S)-4-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 89033636
(3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine
CID 129492988
[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 25220548
[(3R,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 98006633
[2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine
CID 81011067

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol (CID 71831040) is [4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol is OCC1CNCC1c1ccc(Cl)cc1F.
What is the InChIKey of [4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is QDJOTQAOTNWMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-8-1-2-9(11(13)3-8)10-5-14-4-7(10)6-15/h1-3,7,10,14-15H,4-6H2.
What are the key properties of [4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol?
[4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 229.68 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 71831040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).