2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol

C12H14ClFO — CID 112653482

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
SMILESCC1CC1C(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C12H14ClFO/c1-7-5-9(7)11(15)6-8-3-2-4-10(14)12(8)13/h2-4,7,9,11,15H,5-6H2,1H3
InChIKeyAFAAOKMWNGNKKL-UHFFFAOYSA-N
MW228.69 g/mol
LogP3.04
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol

2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol (PubChem CID 112653482) has the molecular formula C12H14ClFO and a molecular weight of 228.69 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
PubChem CID112653482
Molecular FormulaC12H14ClFO
Molecular Weight228.69 g/mol
Exact Mass228.07
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
SMILESCC1CC1C(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C12H14ClFO/c1-7-5-9(7)11(15)6-8-3-2-4-10(14)12(8)13/h2-4,7,9,11,15H,5-6H2,1H3
InChIKeyAFAAOKMWNGNKKL-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 112653098
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol
CID 112653481
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 112653355
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 112652013
1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547608
2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 65422333
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol
CID 112653497
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol (CID 112653482) is 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol is CC1CC1C(O)Cc1cccc(F)c1Cl.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol?
The InChIKey is AFAAOKMWNGNKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO/c1-7-5-9(7)11(15)6-8-3-2-4-10(14)12(8)13/h2-4,7,9,11,15H,5-6H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol?
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol has a molecular weight of 228.69 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol is sourced from PubChem (CID 112653482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).