1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol

C12H14F2O — CID 103564715

IUPAC1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H14F2O/c1-8-5-12(15,6-8)7-9-2-3-10(13)11(14)4-9/h2-4,8,15H,5-7H2,1H3
InChIKeySZZURTFJLABUHH-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.67
Rot. Bonds2

About 1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol

1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol (PubChem CID 103564715) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol
PubChem CID103564715
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H14F2O/c1-8-5-12(15,6-8)7-9-2-3-10(13)11(14)4-9/h2-4,8,15H,5-7H2,1H3
InChIKeySZZURTFJLABUHH-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3,4-difluorophenyl)methyl]piperidin-4-ol
CID 59003395
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol
CID 54971162
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449890
8-benzyl-3-[(3,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171961758
3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol
CID 82920758
1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823572
3-[(3,4-difluorophenyl)methyl]oxan-3-ol
CID 82919488
3-[(3-fluoro-4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962227
1-(furan-3-ylmethyl)-3-methylcyclobutan-1-ol
CID 103564546
3-[(3,4-difluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112563919
3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962228
4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene
CID 82935489

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol (CID 103564715) is 1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol is CC1CC(O)(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol?
The InChIKey is SZZURTFJLABUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-8-5-12(15,6-8)7-9-2-3-10(13)11(14)4-9/h2-4,8,15H,5-7H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol?
1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol has a molecular weight of 212.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol is sourced from PubChem (CID 103564715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).