4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol

C11H14ClFO — CID 103049449

IUPAC4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(O)C(C)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFO/c1-7(8(2)14)5-9-6-10(12)3-4-11(9)13/h3-4,6-8,14H,5H2,1-2H3
InChIKeyHWRIKFXUBRTWDM-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.04
Rot. Bonds3

About 4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol

4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol (PubChem CID 103049449) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
PubChem CID103049449
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(O)C(C)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFO/c1-7(8(2)14)5-9-6-10(12)3-4-11(9)13/h3-4,6-8,14H,5H2,1-2H3
InChIKeyHWRIKFXUBRTWDM-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

4-(5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylbutan-2-amine
CID 103049865
1-(5-chloro-2-fluorophenyl)-4-methoxy-3-methylbutan-2-ol
CID 103047797
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol
CID 103053467
1-(5-chloro-2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 103053392
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
CID 83441782
1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentane-2,3-diol
CID 103457308
1-(5-chloro-2-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 103048235
4-chloro-2-(4-chloro-2-methylpentyl)-1-fluorobenzene
CID 103050578
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanal
CID 103047677
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992
2-(5-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 103048202

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol?
The IUPAC name of 4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol (CID 103049449) is 4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol is CC(O)C(C)Cc1cc(Cl)ccc1F.
What is the InChIKey of 4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol?
The InChIKey is HWRIKFXUBRTWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-7(8(2)14)5-9-6-10(12)3-4-11(9)13/h3-4,6-8,14H,5H2,1-2H3.
What are the key properties of 4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol?
4-(5-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 4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 103049449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).