1,1-difluoro-2-(4-methylphenyl)butan-2-ol

C11H14F2O — CID 80605948

IUPAC1,1-difluoro-2-(4-methylphenyl)butan-2-ol
SMILESCCC(O)(c1ccc(C)cc1)C(F)F
InChIInChI=1S/C11H14F2O/c1-3-11(14,10(12)13)9-6-4-8(2)5-7-9/h4-7,10,14H,3H2,1-2H3
InChIKeyVGKVZQZODAGEKL-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.86
Rot. Bonds3

About 1,1-difluoro-2-(4-methylphenyl)butan-2-ol

1,1-difluoro-2-(4-methylphenyl)butan-2-ol (PubChem CID 80605948) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1,1-difluoro-2-(4-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-2-(4-methylphenyl)butan-2-ol
PubChem CID80605948
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1,1-difluoro-2-(4-methylphenyl)butan-2-ol
SMILESCCC(O)(c1ccc(C)cc1)C(F)F
InChIInChI=1S/C11H14F2O/c1-3-11(14,10(12)13)9-6-4-8(2)5-7-9/h4-7,10,14H,3H2,1-2H3
InChIKeyVGKVZQZODAGEKL-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-3-(4-methylphenyl)-2-propylpentanoic acid
CID 83042975
2-methyl-3-[4-(trifluoromethyl)phenyl]pentan-3-ol
CID 62788141
ethyl 2-fluoro-3-hydroxy-3-(4-hydroxyphenyl)pentanoate
CID 79366102
1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene
CID 22277896
1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene
CID 154521718
1-(2-fluorophenyl)-1-(4-methylphenyl)propan-1-ol
CID 112679383
4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol
CID 102471163
1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936
3-hydroxy-3-(4-methylphenyl)pentanoic acid
CID 62395934
(2S)-2-fluoro-2-(4-methylphenyl)butan-1-amine
CID 129375642
(2,4-dimethylphenyl)-bis(4-methylphenyl)methanol
CID 54297310
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(4-methylphenyl)butan-2-ol?
The IUPAC name of 1,1-difluoro-2-(4-methylphenyl)butan-2-ol (CID 80605948) is 1,1-difluoro-2-(4-methylphenyl)butan-2-ol.
What is the SMILES notation for 1,1-difluoro-2-(4-methylphenyl)butan-2-ol?
The canonical SMILES for 1,1-difluoro-2-(4-methylphenyl)butan-2-ol is CCC(O)(c1ccc(C)cc1)C(F)F.
What is the InChIKey of 1,1-difluoro-2-(4-methylphenyl)butan-2-ol?
The InChIKey is VGKVZQZODAGEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-3-11(14,10(12)13)9-6-4-8(2)5-7-9/h4-7,10,14H,3H2,1-2H3.
What are the key properties of 1,1-difluoro-2-(4-methylphenyl)butan-2-ol?
1,1-difluoro-2-(4-methylphenyl)butan-2-ol has a molecular weight of 200.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(4-methylphenyl)butan-2-ol is sourced from PubChem (CID 80605948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).