1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol

C14H18F4O — CID 91089694

IUPAC1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(C)(O)C(F)(F)F
InChIInChI=1S/C14H18F4O/c1-9-5-6-10(15)7-11(9)12(2,3)8-13(4,19)14(16,17)18/h5-7,19H,8H2,1-4H3
InChIKeySAEFJLASTJSSGW-UHFFFAOYSA-N
MW278.29 g/mol
LogP4.12
Rot. Bonds3

About 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol

1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol (PubChem CID 91089694) has the molecular formula C14H18F4O and a molecular weight of 278.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol
PubChem CID91089694
Molecular FormulaC14H18F4O
Molecular Weight278.29 g/mol
Exact Mass278.13
IUPAC Name1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(C)(O)C(F)(F)F
InChIInChI=1S/C14H18F4O/c1-9-5-6-10(15)7-11(9)12(2,3)8-13(4,19)14(16,17)18/h5-7,19H,8H2,1-4H3
InChIKeySAEFJLASTJSSGW-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol (CID 91089694) is 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol is Cc1ccc(F)cc1C(C)(C)CC(C)(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol?
The InChIKey is SAEFJLASTJSSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4O/c1-9-5-6-10(15)7-11(9)12(2,3)8-13(4,19)14(16,17)18/h5-7,19H,8H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol?
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol has a molecular weight of 278.29 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 91089694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).