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

C12H14F2O2 — CID 82919488

IUPAC3-[(3,4-difluorophenyl)methyl]oxan-3-ol
SMILESOC1(Cc2ccc(F)c(F)c2)CCCOC1
InChIInChI=1S/C12H14F2O2/c13-10-3-2-9(6-11(10)14)7-12(15)4-1-5-16-8-12/h2-3,6,15H,1,4-5,7-8H2
InChIKeyUDWGVLYNWSGDDJ-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.05
Rot. Bonds2

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

3-[(3,4-difluorophenyl)methyl]oxan-3-ol (PubChem CID 82919488) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]oxan-3-ol.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]oxan-3-ol
PubChem CID82919488
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name3-[(3,4-difluorophenyl)methyl]oxan-3-ol
SMILESOC1(Cc2ccc(F)c(F)c2)CCCOC1
InChIInChI=1S/C12H14F2O2/c13-10-3-2-9(6-11(10)14)7-12(15)4-1-5-16-8-12/h2-3,6,15H,1,4-5,7-8H2
InChIKeyUDWGVLYNWSGDDJ-UHFFFAOYSA-N
XLogP2.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3,4-difluorophenyl)methyl]oxan-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

3-[(3-chloro-4-fluorophenyl)methyl]oxan-3-ol
CID 103039030
3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol
CID 107883464
4-[(3-bromo-4-fluorophenyl)methyl]oxepan-4-ol
CID 65079646
3-[(3-aminophenyl)methyl]oxan-3-ol
CID 105460368
4-[(3,4-difluorophenyl)methyl]piperidin-4-ol
CID 59003395
3-(furan-3-ylmethyl)oxan-3-ol
CID 83172042
3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol
CID 82920758
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079
3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol
CID 65145994
N-[(3,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113348018
1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol
CID 103564715
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449890

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]oxan-3-ol?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]oxan-3-ol (CID 82919488) is 3-[(3,4-difluorophenyl)methyl]oxan-3-ol.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]oxan-3-ol?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]oxan-3-ol is OC1(Cc2ccc(F)c(F)c2)CCCOC1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]oxan-3-ol?
The InChIKey is UDWGVLYNWSGDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c13-10-3-2-9(6-11(10)14)7-12(15)4-1-5-16-8-12/h2-3,6,15H,1,4-5,7-8H2.
What are the key properties of 3-[(3,4-difluorophenyl)methyl]oxan-3-ol?
3-[(3,4-difluorophenyl)methyl]oxan-3-ol has a molecular weight of 228.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl]oxan-3-ol is sourced from PubChem (CID 82919488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).