2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol

C15H21F3O — CID 154534897

IUPAC2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(c1ccc(C(C)(O)C(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C15H21F3O/c1-10(13(2,3)4)11-6-8-12(9-7-11)14(5,19)15(16,17)18/h6-10,19H,1-5H3
InChIKeyHXFMVHPCGRELMI-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.61
Rot. Bonds2

About 2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol

2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 154534897) has the molecular formula C15H21F3O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID154534897
Molecular FormulaC15H21F3O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(c1ccc(C(C)(O)C(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C15H21F3O/c1-10(13(2,3)4)11-6-8-12(9-7-11)14(5,19)15(16,17)18/h6-10,19H,1-5H3
InChIKeyHXFMVHPCGRELMI-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23528246
1-[(2S)-3,3-dimethylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 134170918
N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 15986677
ethane;1,1,1-trifluoro-2-(4-sulfanylphenyl)propan-2-ol
CID 171099400
2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane
CID 143399660
1-[(2S)-3,3-dimethylbutan-2-yl]-4-methylbenzene
CID 58051727
1-(3,3-dimethylbutan-2-yl)-4-iodobenzene
CID 176738844
1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-ol
CID 58813053
1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol
CID 13463093
4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol
CID 156764645
4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol
CID 156765582
ethane;1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-ol
CID 145146727

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol (CID 154534897) is 2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol is CC(c1ccc(C(C)(O)C(F)(F)F)cc1)C(C)(C)C.
What is the InChIKey of 2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is HXFMVHPCGRELMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O/c1-10(13(2,3)4)11-6-8-12(9-7-11)14(5,19)15(16,17)18/h6-10,19H,1-5H3.
What are the key properties of 2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol?
2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 274.33 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylbutan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 154534897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).