4,4,4-trifluoro-2-phenylbutan-2-ol

C10H11F3O — CID 102471164

IUPAC4,4,4-trifluoro-2-phenylbutan-2-ol
SMILESCC(O)(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H11F3O/c1-9(14,7-10(11,12)13)8-5-3-2-4-6-8/h2-6,14H,7H2,1H3
InChIKeyDYCLSQQVBPHMTJ-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.85
Rot. Bonds2

About 4,4,4-trifluoro-2-phenylbutan-2-ol

4,4,4-trifluoro-2-phenylbutan-2-ol (PubChem CID 102471164) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-phenylbutan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2-phenylbutan-2-ol
PubChem CID102471164
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name4,4,4-trifluoro-2-phenylbutan-2-ol
SMILESCC(O)(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H11F3O/c1-9(14,7-10(11,12)13)8-5-3-2-4-6-8/h2-6,14H,7H2,1H3
InChIKeyDYCLSQQVBPHMTJ-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
4,4,4-trifluoro-2-(4-methylphenyl)butan-2-ol
CID 102471163
2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
CID 130274652
4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
CID 146082222
4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol
CID 156763954
4,4,4-trifluoro-2-hydroxy-2-phenylbutanenitrile
CID 21024140
4,4,5,5,6,6,6-heptafluoro-2-(4-phenylphenyl)hexan-2-ol
CID 156765464
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
CID 156763137
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
1,1-difluoroethylbenzene
CID 10942535

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-phenylbutan-2-ol?
The IUPAC name of 4,4,4-trifluoro-2-phenylbutan-2-ol (CID 102471164) is 4,4,4-trifluoro-2-phenylbutan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-2-phenylbutan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-2-phenylbutan-2-ol is CC(O)(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 4,4,4-trifluoro-2-phenylbutan-2-ol?
The InChIKey is DYCLSQQVBPHMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-9(14,7-10(11,12)13)8-5-3-2-4-6-8/h2-6,14H,7H2,1H3.
What are the key properties of 4,4,4-trifluoro-2-phenylbutan-2-ol?
4,4,4-trifluoro-2-phenylbutan-2-ol has a molecular weight of 204.19 g/mol, XLogP of 2.85, 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-phenylbutan-2-ol is sourced from PubChem (CID 102471164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).