1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol

C12H15F3O — CID 64565140

IUPAC1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol
SMILESCc1cc(C)cc(C(O)CCC(F)(F)F)c1
InChIInChI=1S/C12H15F3O/c1-8-5-9(2)7-10(6-8)11(16)3-4-12(13,14)15/h5-7,11,16H,3-4H2,1-2H3
InChIKeyNADKSNDMTZOBAC-UHFFFAOYSA-N
MW232.24 g/mol
LogP3.68
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol

1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol (PubChem CID 64565140) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol
PubChem CID64565140
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol
SMILESCc1cc(C)cc(C(O)CCC(F)(F)F)c1
InChIInChI=1S/C12H15F3O/c1-8-5-9(2)7-10(6-8)11(16)3-4-12(13,14)15/h5-7,11,16H,3-4H2,1-2H3
InChIKeyNADKSNDMTZOBAC-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 115804298
(4S)-4-(3,5-dimethylphenyl)-4-hydroxybutanamide
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CID 115345859
1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol
CID 63900161
1-(3-amino-5-methylphenyl)butan-1-ol
CID 131048981
3-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)propan-1-ol
CID 103147761
3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol
CID 84769044
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
[4,4,4-trifluoro-1-(3-fluoro-5-methylphenyl)butyl]hydrazine
CID 105249105
1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol
CID 105104586
N-[1-(3,5-dimethylphenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81343670
1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol
CID 106848279

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol (CID 64565140) is 1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol is Cc1cc(C)cc(C(O)CCC(F)(F)F)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is NADKSNDMTZOBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-8-5-9(2)7-10(6-8)11(16)3-4-12(13,14)15/h5-7,11,16H,3-4H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol?
1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 232.24 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 64565140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).