1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol

C12H14ClFO — CID 112652956

IUPAC1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
SMILESCC(O)(Cc1cccc(F)c1Cl)C1CC1
InChIInChI=1S/C12H14ClFO/c1-12(15,9-5-6-9)7-8-3-2-4-10(14)11(8)13/h2-4,9,15H,5-7H2,1H3
InChIKeyBKVOFOIXCTXTQS-UHFFFAOYSA-N
MW228.69 g/mol
LogP3.18
Rot. Bonds3

About 1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol

1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol (PubChem CID 112652956) has the molecular formula C12H14ClFO and a molecular weight of 228.69 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
PubChem CID112652956
Molecular FormulaC12H14ClFO
Molecular Weight228.69 g/mol
Exact Mass228.07
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
SMILESCC(O)(Cc1cccc(F)c1Cl)C1CC1
InChIInChI=1S/C12H14ClFO/c1-12(15,9-5-6-9)7-8-3-2-4-10(14)11(8)13/h2-4,9,15H,5-7H2,1H3
InChIKeyBKVOFOIXCTXTQS-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

1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol
CID 112652978
1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112653170
1-(2-chloro-3-fluorophenyl)-2-phenylpropan-2-ol
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1-(2-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propan-2-ol
CID 112652946
1-(2-fluorophenyl)-2-piperidin-4-ylpropan-2-ol
CID 105499385
4-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutanal
CID 112653106
2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112652949
4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865539
1-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol
CID 112652947
1-(2-chloro-3-fluorophenyl)-6,6,6-trifluoro-2-methylhexan-2-ol
CID 116535931
1-(2-chloro-3-fluorophenyl)-2-methylheptan-2-ol
CID 112653134
1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol (CID 112652956) is 1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol is CC(O)(Cc1cccc(F)c1Cl)C1CC1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol?
The InChIKey is BKVOFOIXCTXTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO/c1-12(15,9-5-6-9)7-8-3-2-4-10(14)11(8)13/h2-4,9,15H,5-7H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol?
1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol 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 1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol is sourced from PubChem (CID 112652956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).