3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol

C11H13F2NO — CID 82920758

IUPAC3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol
SMILESOC1(Cc2ccc(F)c(F)c2)CCNC1
InChIInChI=1S/C11H13F2NO/c12-9-2-1-8(5-10(9)13)6-11(15)3-4-14-7-11/h1-2,5,14-15H,3-4,6-7H2
InChIKeyNFFYPVHWOHHYDM-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.23
Rot. Bonds2

About 3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol

3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol (PubChem CID 82920758) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol
PubChem CID82920758
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol
SMILESOC1(Cc2ccc(F)c(F)c2)CCNC1
InChIInChI=1S/C11H13F2NO/c12-9-2-1-8(5-10(9)13)6-11(15)3-4-14-7-11/h1-2,5,14-15H,3-4,6-7H2
InChIKeyNFFYPVHWOHHYDM-UHFFFAOYSA-N
XLogP1.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol 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

4-[(3,4-difluorophenyl)methyl]piperidin-4-ol
CID 59003395
4-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-ol
CID 103038905
3-benzylpyrrolidin-3-ol;hydrochloride
CID 122508012
3-[(3,4-difluorophenyl)methyl]oxan-3-ol
CID 82919488
4-[(3-chloro-4-fluorophenyl)methyl]azepan-4-ol
CID 103039159
3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol
CID 83691069
1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol
CID 103564715
3-[(4-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 83691018
3,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 114760212
4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene
CID 82935489
2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine
CID 82923443
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol (CID 82920758) is 3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol is OC1(Cc2ccc(F)c(F)c2)CCNC1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is NFFYPVHWOHHYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-9-2-1-8(5-10(9)13)6-11(15)3-4-14-7-11/h1-2,5,14-15H,3-4,6-7H2.
What are the key properties of 3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol?
3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 213.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 82920758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).