[1-(2,4-difluorophenyl)cyclobutyl]methanol

C11H12F2O — CID 83686222

IUPAC[1-(2,4-difluorophenyl)cyclobutyl]methanol
SMILESOCC1(c2ccc(F)cc2F)CCC1
InChIInChI=1S/C11H12F2O/c12-8-2-3-9(10(13)6-8)11(7-14)4-1-5-11/h2-3,6,14H,1,4-5,7H2
InChIKeyALEILCVRMNGGMJ-UHFFFAOYSA-N
MW198.21 g/mol
LogP2.38
Rot. Bonds2

About [1-(2,4-difluorophenyl)cyclobutyl]methanol

[1-(2,4-difluorophenyl)cyclobutyl]methanol (PubChem CID 83686222) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)cyclobutyl]methanol
PubChem CID83686222
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name[1-(2,4-difluorophenyl)cyclobutyl]methanol
SMILESOCC1(c2ccc(F)cc2F)CCC1
InChIInChI=1S/C11H12F2O/c12-8-2-3-9(10(13)6-8)11(7-14)4-1-5-11/h2-3,6,14H,1,4-5,7H2
InChIKeyALEILCVRMNGGMJ-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol
CID 131026964
[3-(2,4-difluorophenyl)oxetan-3-yl]methanol
CID 116829723
N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 64560260
N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 64561227
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 122066556
3-[[1-(2,4-difluorophenyl)cyclopentyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010799
N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine
CID 64999494
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
4-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]cyclohexane-1-carboxylic acid
CID 122032249
3-[[1-(2,4-difluorophenyl)cyclopropyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122008220
ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate
CID 110479352
1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone
CID 83685876

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)cyclobutyl]methanol?
The IUPAC name of [1-(2,4-difluorophenyl)cyclobutyl]methanol (CID 83686222) is [1-(2,4-difluorophenyl)cyclobutyl]methanol.
What is the SMILES notation for [1-(2,4-difluorophenyl)cyclobutyl]methanol?
The canonical SMILES for [1-(2,4-difluorophenyl)cyclobutyl]methanol is OCC1(c2ccc(F)cc2F)CCC1.
What is the InChIKey of [1-(2,4-difluorophenyl)cyclobutyl]methanol?
The InChIKey is ALEILCVRMNGGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c12-8-2-3-9(10(13)6-8)11(7-14)4-1-5-11/h2-3,6,14H,1,4-5,7H2.
What are the key properties of [1-(2,4-difluorophenyl)cyclobutyl]methanol?
[1-(2,4-difluorophenyl)cyclobutyl]methanol has a molecular weight of 198.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)cyclobutyl]methanol is sourced from PubChem (CID 83686222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).