[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol

C12H15F2NO — CID 62016121

IUPAC[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1cccc(F)c1F
InChIInChI=1S/C12H15F2NO/c13-11-5-1-3-9(12(11)14)7-15-6-2-4-10(15)8-16/h1,3,5,10,16H,2,4,6-8H2
InChIKeyMDYAXSRODRUZOJ-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.92
Rot. Bonds3

About [1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol

[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 62016121) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is [1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID62016121
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1cccc(F)c1F
InChIInChI=1S/C12H15F2NO/c13-11-5-1-3-9(12(11)14)7-15-6-2-4-10(15)8-16/h1,3,5,10,16H,2,4,6-8H2
InChIKeyMDYAXSRODRUZOJ-UHFFFAOYSA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 104794526
2-(2-bromoethyl)-1-[(2,3-difluorophenyl)methyl]piperidine
CID 80671783
[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
CID 114933196
2-fluoro-3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarbothioamide
CID 107115714
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide
CID 75501739
[1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102787791
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 60584720
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine
CID 11401773
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol (CID 62016121) is [1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1cccc(F)c1F.
What is the InChIKey of [1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is MDYAXSRODRUZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-11-5-1-3-9(12(11)14)7-15-6-2-4-10(15)8-16/h1,3,5,10,16H,2,4,6-8H2.
What are the key properties of [1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol?
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 227.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62016121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).