2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol

C12H14ClFO — CID 107883654

IUPAC2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)C1CCC1
InChIInChI=1S/C12H14ClFO/c13-10-5-4-8(6-11(10)14)7-12(15)9-2-1-3-9/h4-6,9,12,15H,1-3,7H2
InChIKeyFJFMQBWNSBYXBU-UHFFFAOYSA-N
MW228.69 g/mol
LogP3.18
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol

2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol (PubChem CID 107883654) has the molecular formula C12H14ClFO and a molecular weight of 228.69 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
PubChem CID107883654
Molecular FormulaC12H14ClFO
Molecular Weight228.69 g/mol
Exact Mass228.07
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)C1CCC1
InChIInChI=1S/C12H14ClFO/c13-10-5-4-8(6-11(10)14)7-12(15)9-2-1-3-9/h4-6,9,12,15H,1-3,7H2
InChIKeyFJFMQBWNSBYXBU-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.69
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 107883617
2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol
CID 64986950
2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
CID 114012687
3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 107884380
2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 107894346
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384
[1-(4-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 107895453
2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 82920862
2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 107883644
3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 107897598
1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene
CID 107897043

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol (CID 107883654) is 2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol is OC(Cc1ccc(Cl)c(F)c1)C1CCC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol?
The InChIKey is FJFMQBWNSBYXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO/c13-10-5-4-8(6-11(10)14)7-12(15)9-2-1-3-9/h4-6,9,12,15H,1-3,7H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol?
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol has a molecular weight of 228.69 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol is sourced from PubChem (CID 107883654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).