2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol

C14H19F3O — CID 65147130

IUPAC2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
SMILESCCC(C)C(C)(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3O/c1-4-10(2)13(3,18)9-11-5-7-12(8-6-11)14(15,16)17/h5-8,10,18H,4,9H2,1-3H3
InChIKeyZBPYXQUTBIHCOQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.05
Rot. Bonds4

About 2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol

2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol (PubChem CID 65147130) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
PubChem CID65147130
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
SMILESCCC(C)C(C)(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3O/c1-4-10(2)13(3,18)9-11-5-7-12(8-6-11)14(15,16)17/h5-8,10,18H,4,9H2,1-3H3
InChIKeyZBPYXQUTBIHCOQ-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol
CID 60918368
1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol
CID 79444953
1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 82919789
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
3-methyl-1-[4-(trifluoromethyl)phenyl]pentane-2,3-diol
CID 103448650
1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 139245832
1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol
CID 114284823
2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 65146410
2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83160551
4,5,5-trimethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-one
CID 63833110
(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 138977962

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol (CID 65147130) is 2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol is CCC(C)C(C)(O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol?
The InChIKey is ZBPYXQUTBIHCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-4-10(2)13(3,18)9-11-5-7-12(8-6-11)14(15,16)17/h5-8,10,18H,4,9H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol?
2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol has a molecular weight of 260.30 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol is sourced from PubChem (CID 65147130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).