4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol

C11H13F3O — CID 102471163

IUPAC4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol
SMILESCc1ccc(C(C)(O)CC(F)(F)F)cc1
InChIInChI=1S/C11H13F3O/c1-8-3-5-9(6-4-8)10(2,15)7-11(12,13)14/h3-6,15H,7H2,1-2H3
InChIKeySHYBSWKTLZVQGK-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.15
Rot. Bonds2

About 4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol

4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol (PubChem CID 102471163) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol
PubChem CID102471163
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol
SMILESCc1ccc(C(C)(O)CC(F)(F)F)cc1
InChIInChI=1S/C11H13F3O/c1-8-3-5-9(6-4-8)10(2,15)7-11(12,13)14/h3-6,15H,7H2,1-2H3
InChIKeySHYBSWKTLZVQGK-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
CID 130274652
4,4,4-trifluoro-2-phenylbutan-2-ol
CID 102471164
2-(4-methylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-2-ol
CID 162347646
3,3,4,4,4-pentafluoro-2-(4-methylphenyl)butan-2-ol
CID 162511319
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009
1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 14938913
1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol
CID 105402436
1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene
CID 22261761
1-fluoro-1-(4-methylphenyl)ethanethiol
CID 145074057
1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene
CID 22277896
1-tert-butyl-4-methylbenzene
CID 163486601
2,2-difluoro-2-(4-methylphenyl)ethanol;ethane
CID 143007917

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol (CID 102471163) is 4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol is Cc1ccc(C(C)(O)CC(F)(F)F)cc1.
What is the InChIKey of 4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol?
The InChIKey is SHYBSWKTLZVQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-8-3-5-9(6-4-8)10(2,15)7-11(12,13)14/h3-6,15H,7H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol?
4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol has a molecular weight of 218.22 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol is sourced from PubChem (CID 102471163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).