2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol

C15H18F6O — CID 10830106

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(C)(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18F6O/c1-12(2,3)8-13(4,22)9-5-10(14(16,17)18)7-11(6-9)15(19,20)21/h5-7,22H,8H2,1-4H3
InChIKeyPNDJQUASOXBJAE-UHFFFAOYSA-N
MW328.30 g/mol
LogP5.37
Rot. Bonds2

About 2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol

2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol (PubChem CID 10830106) has the molecular formula C15H18F6O and a molecular weight of 328.30 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol
PubChem CID10830106
Molecular FormulaC15H18F6O
Molecular Weight328.30 g/mol
Exact Mass328.13
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(C)(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18F6O/c1-12(2,3)8-13(4,22)9-5-10(14(16,17)18)7-11(6-9)15(19,20)21/h5-7,22H,8H2,1-4H3
InChIKeyPNDJQUASOXBJAE-UHFFFAOYSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.30
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 172768218
3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide
CID 89166264
2-[3-methyl-5-(trifluoromethyl)phenyl]pent-4-yn-2-ol
CID 130211257
2-[3-propyl-5-(trifluoromethyl)phenyl]propan-2-ol
CID 162614763
2-amino-2-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 54979927
actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 22950157
(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 138977962
1-amino-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62774941
4,4,4-trifluoro-2-phenylbutan-2-ol
CID 102471164
1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 129136157
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol (CID 10830106) is 2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(C)(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol?
The InChIKey is PNDJQUASOXBJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F6O/c1-12(2,3)8-13(4,22)9-5-10(14(16,17)18)7-11(6-9)15(19,20)21/h5-7,22H,8H2,1-4H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol?
2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol has a molecular weight of 328.30 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 10830106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).