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

C12H15ClFNO — CID 107895007

IUPAC[2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1(Cc2ccc(Cl)c(F)c2)CCCN1
InChIInChI=1S/C12H15ClFNO/c13-10-3-2-9(6-11(10)14)7-12(8-16)4-1-5-15-12/h2-3,6,15-16H,1,4-5,7-8H2
InChIKeyZVFXSBIOVJKQFF-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.14
Rot. Bonds3

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

[2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 107895007) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is [2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID107895007
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name[2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1(Cc2ccc(Cl)c(F)c2)CCCN1
InChIInChI=1S/C12H15ClFNO/c13-10-3-2-9(6-11(10)14)7-12(8-16)4-1-5-15-12/h2-3,6,15-16H,1,4-5,7-8H2
InChIKeyZVFXSBIOVJKQFF-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol
CID 107894887
[1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol
CID 114013678
[2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 83080326
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 82922545
[2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 106870628
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carboxylic acid
CID 107889012
(2S)-2-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 7145473
2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine
CID 106819392
[2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 83079886
1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 107883637

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol (CID 107895007) is [2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol is OCC1(Cc2ccc(Cl)c(F)c2)CCCN1.
What is the InChIKey of [2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is ZVFXSBIOVJKQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-10-3-2-9(6-11(10)14)7-12(8-16)4-1-5-15-12/h2-3,6,15-16H,1,4-5,7-8H2.
What are the key properties of [2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol?
[2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 243.71 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 107895007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).