[1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol

C11H12ClFO — CID 131026964

IUPAC[1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol
SMILESOCC1(c2ccc(F)cc2Cl)CCC1
InChIInChI=1S/C11H12ClFO/c12-10-6-8(13)2-3-9(10)11(7-14)4-1-5-11/h2-3,6,14H,1,4-5,7H2
InChIKeyPZRUXCFUSFRCRN-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.89
Rot. Bonds2

About [1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol

[1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol (PubChem CID 131026964) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is [1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol
PubChem CID131026964
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name[1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol
SMILESOCC1(c2ccc(F)cc2Cl)CCC1
InChIInChI=1S/C11H12ClFO/c12-10-6-8(13)2-3-9(10)11(7-14)4-1-5-11/h2-3,6,14H,1,4-5,7H2
InChIKeyPZRUXCFUSFRCRN-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2,4-difluorophenyl)cyclobutyl]methanol
CID 83686222
N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 63038452
N-[2-[2-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 159016659
N-[[2-(2-chloro-4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]-2-methoxyethanamine
CID 65009132
N-[[1-(2-chloro-4-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-2-amine
CID 64999293
[1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol
CID 116963511
N-[[4-(2-chloro-4-fluorophenyl)oxan-4-yl]methyl]propan-1-amine
CID 63037575
4-(2-chloro-4-fluorophenyl)oxane-4-carboxylic acid
CID 63033334
4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol
CID 105425981
N-[[1-(2-chloro-4-fluorophenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine
CID 65353467
2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62520565
N-[[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]methyl]propan-2-amine
CID 65001631

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol?
The IUPAC name of [1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol (CID 131026964) is [1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol.
What is the SMILES notation for [1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol?
The canonical SMILES for [1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol is OCC1(c2ccc(F)cc2Cl)CCC1.
What is the InChIKey of [1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol?
The InChIKey is PZRUXCFUSFRCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c12-10-6-8(13)2-3-9(10)11(7-14)4-1-5-11/h2-3,6,14H,1,4-5,7H2.
What are the key properties of [1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol?
[1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol has a molecular weight of 214.67 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol is sourced from PubChem (CID 131026964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).