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

C12H14ClFO — CID 65459936

IUPAC1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1cccc(Cl)c1F
InChIInChI=1S/C12H14ClFO/c13-10-6-2-5-9(12(10)14)11(15)7-8-3-1-4-8/h2,5-6,8,11,15H,1,3-4,7H2
InChIKeyBOWMETCOVUHHPR-UHFFFAOYSA-N
MW228.69 g/mol
LogP3.70
Rot. Bonds3

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

1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol (PubChem CID 65459936) has the molecular formula C12H14ClFO and a molecular weight of 228.69 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol
PubChem CID65459936
Molecular FormulaC12H14ClFO
Molecular Weight228.69 g/mol
Exact Mass228.07
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1cccc(Cl)c1F
InChIInChI=1S/C12H14ClFO/c13-10-6-2-5-9(12(10)14)11(15)7-8-3-1-4-8/h2,5-6,8,11,15H,1,3-4,7H2
InChIKeyBOWMETCOVUHHPR-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol
CID 107103370
2-cyclobutyl-1-(2-fluorophenyl)ethanol
CID 65458117
(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol
CID 64713267
1-(2-chloro-4,5-difluorophenyl)-2-cyclobutylethanol
CID 107477114
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 66418586
(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
CID 64713264
3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol
CID 81262700
(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171161264
1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine
CID 82806050
3-(3-chloro-2-fluorophenyl)-3-hydroxypropanenitrile
CID 114489174
1-(3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanol
CID 81263148
1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol
CID 63083124

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol (CID 65459936) is 1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol is OC(CC1CCC1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol?
The InChIKey is BOWMETCOVUHHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO/c13-10-6-2-5-9(12(10)14)11(15)7-8-3-1-4-8/h2,5-6,8,11,15H,1,3-4,7H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol?
1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol has a molecular weight of 228.69 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol is sourced from PubChem (CID 65459936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).