2-(3,4-difluorophenyl)-3-methylbutan-2-ol

C11H14F2O — CID 62802016

IUPAC2-(3,4-difluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2O/c1-7(2)11(3,14)8-4-5-9(12)10(13)6-8/h4-7,14H,1-3H3
InChIKeyAXHARHIOEYQEOU-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.83
Rot. Bonds2

About 2-(3,4-difluorophenyl)-3-methylbutan-2-ol

2-(3,4-difluorophenyl)-3-methylbutan-2-ol (PubChem CID 62802016) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3-methylbutan-2-ol
PubChem CID62802016
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(3,4-difluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2O/c1-7(2)11(3,14)8-4-5-9(12)10(13)6-8/h4-7,14H,1-3H3
InChIKeyAXHARHIOEYQEOU-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 62786947
2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol
CID 58481777
3-(3,4-difluorophenyl)-2-methylpentan-3-ol
CID 62802686
(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
CID 94334038
methyl 3-(3,4-difluorophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394404
(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
CID 94601218
2-(3,4-difluorophenyl)-2-hydroxypropanoic acid
CID 61237250
1-(3,4-difluorophenyl)-1-(4-methylphenyl)ethanol
CID 62801185
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009
1-cyclopropyl-1-(3,4-difluorophenyl)ethanol
CID 62802186
1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol
CID 22993491
2-(4-aminophenyl)-3-methylbutan-2-ol
CID 115015456

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-3-methylbutan-2-ol?
The IUPAC name of 2-(3,4-difluorophenyl)-3-methylbutan-2-ol (CID 62802016) is 2-(3,4-difluorophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 2-(3,4-difluorophenyl)-3-methylbutan-2-ol is CC(C)C(C)(O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-3-methylbutan-2-ol?
The InChIKey is AXHARHIOEYQEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-7(2)11(3,14)8-4-5-9(12)10(13)6-8/h4-7,14H,1-3H3.
What are the key properties of 2-(3,4-difluorophenyl)-3-methylbutan-2-ol?
2-(3,4-difluorophenyl)-3-methylbutan-2-ol has a molecular weight of 200.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 62802016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).