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

C11H12ClFO — CID 82802724

IUPAC2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
SMILESOC(Cc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C11H12ClFO/c12-9-3-1-2-8(11(9)13)6-10(14)7-4-5-7/h1-3,7,10,14H,4-6H2
InChIKeyLAOQICWGVIYBQJ-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.79
Rot. Bonds3

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

2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol (PubChem CID 82802724) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
PubChem CID82802724
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
SMILESOC(Cc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C11H12ClFO/c12-9-3-1-2-8(11(9)13)6-10(14)7-4-5-7/h1-3,7,10,14H,4-6H2
InChIKeyLAOQICWGVIYBQJ-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 102857380
2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol
CID 82802497
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103456031
2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102867474
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
2-(3-chloro-2-fluorophenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
CID 102857419
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 82805685
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine
CID 82806050

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol (CID 82802724) is 2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol is OC(Cc1cccc(Cl)c1F)C1CC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol?
The InChIKey is LAOQICWGVIYBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c12-9-3-1-2-8(11(9)13)6-10(14)7-4-5-7/h1-3,7,10,14H,4-6H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol?
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol has a molecular weight of 214.67 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol is sourced from PubChem (CID 82802724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).