2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol

C13H17F3O — CID 46209743

IUPAC2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol
SMILESCC(C)(O)CCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3O/c1-12(2,17)9-3-4-10-5-7-11(8-6-10)13(14,15)16/h5-8,17H,3-4,9H2,1-2H3
InChIKeyBGKABPADDLMTBP-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.80
Rot. Bonds4

About 2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol

2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol (PubChem CID 46209743) has the molecular formula C13H17F3O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol
PubChem CID46209743
Molecular FormulaC13H17F3O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol
SMILESCC(C)(O)CCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3O/c1-12(2,17)9-3-4-10-5-7-11(8-6-10)13(14,15)16/h5-8,17H,3-4,9H2,1-2H3
InChIKeyBGKABPADDLMTBP-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methyl-6-phenylhexan-2-ol
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1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
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1-[4-(trifluoromethyl)phenyl]heptan-4-one
CID 64522928
4-[4-(trifluoromethyl)phenyl]butanoyl chloride
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2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol
CID 98015312
2-methyl-4-[4-(trifluoromethyl)phenoxy]butan-2-ol
CID 79361565
trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90170967
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048
5-[4-(trifluoromethyl)phenyl]pentanamide
CID 162568096
N-tert-butyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol?
The IUPAC name of 2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol (CID 46209743) is 2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol.
What is the SMILES notation for 2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol?
The canonical SMILES for 2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol is CC(C)(O)CCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol?
The InChIKey is BGKABPADDLMTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O/c1-12(2,17)9-3-4-10-5-7-11(8-6-10)13(14,15)16/h5-8,17H,3-4,9H2,1-2H3.
What are the key properties of 2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol?
2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol has a molecular weight of 246.27 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol is sourced from PubChem (CID 46209743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).