[3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol

C12H15F2NO — CID 114934841

IUPAC[3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1(Cc2c(F)cccc2F)CCNC1
InChIInChI=1S/C12H15F2NO/c13-10-2-1-3-11(14)9(10)6-12(8-16)4-5-15-7-12/h1-3,15-16H,4-8H2
InChIKeyBHAASWINANMLAN-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.48
Rot. Bonds3

About [3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol

[3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 114934841) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is [3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID114934841
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name[3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1(Cc2c(F)cccc2F)CCNC1
InChIInChI=1S/C12H15F2NO/c13-10-2-1-3-11(14)9(10)6-12(8-16)4-5-15-7-12/h1-3,15-16H,4-8H2
InChIKeyBHAASWINANMLAN-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine
CID 114935042
[3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 66059643
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
[3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 66057552
[3-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 66059230
[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 103051183
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 56753257
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
[3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 66058599
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 154892250
4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
CID 62786575
[1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478439

Frequently Asked Questions

What is the IUPAC name of [3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol (CID 114934841) is [3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol is OCC1(Cc2c(F)cccc2F)CCNC1.
What is the InChIKey of [3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is BHAASWINANMLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-2-1-3-11(14)9(10)6-12(8-16)4-5-15-7-12/h1-3,15-16H,4-8H2.
What are the key properties of [3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol?
[3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 227.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 114934841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).