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

C11H14ClFO — CID 82803053

IUPAC1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFO/c1-7(2)10(14)6-8-4-3-5-9(12)11(8)13/h3-5,7,10,14H,6H2,1-2H3
InChIKeyKIMDORONCXZMJP-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.04
Rot. Bonds3

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

1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol (PubChem CID 82803053) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
PubChem CID82803053
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFO/c1-7(2)10(14)6-8-4-3-5-9(12)11(8)13/h3-5,7,10,14H,6H2,1-2H3
InChIKeyKIMDORONCXZMJP-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)butane-2,3-diol
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1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
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1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
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1-(3-chloro-2-fluorophenyl)-4,6-dimethylheptan-2-ol
CID 114200749
1-(3-chloro-2-fluorophenyl)-6-methylheptan-2-ol
CID 83160800
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
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1-(3-bromo-2-methylbutyl)-3-chloro-2-fluorobenzene
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1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene
CID 102863780

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol (CID 82803053) is 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol is CC(C)C(O)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol?
The InChIKey is KIMDORONCXZMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-7(2)10(14)6-8-4-3-5-9(12)11(8)13/h3-5,7,10,14H,6H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol?
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol has a molecular weight of 216.68 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 1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 82803053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).