1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol

C13H16F4O — CID 173133106

IUPAC1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol
SMILESCC(C)(CC(C)(O)C(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C13H16F4O/c1-11(2,8-12(3,18)13(15,16)17)9-5-4-6-10(14)7-9/h4-7,18H,8H2,1-3H3
InChIKeyONYUARAXKIORFO-UHFFFAOYSA-N
MW264.26 g/mol
LogP3.81
Rot. Bonds3

About 1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol

1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol (PubChem CID 173133106) has the molecular formula C13H16F4O and a molecular weight of 264.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol
PubChem CID173133106
Molecular FormulaC13H16F4O
Molecular Weight264.26 g/mol
Exact Mass264.11
IUPAC Name1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol
SMILESCC(C)(CC(C)(O)C(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C13H16F4O/c1-11(2,8-12(3,18)13(15,16)17)9-5-4-6-10(14)7-9/h4-7,18H,8H2,1-3H3
InChIKeyONYUARAXKIORFO-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 53.81
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-(3-fluorophenyl)-2,4-dimethylpentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol (CID 173133106) is 1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol is CC(C)(CC(C)(O)C(F)(F)F)c1cccc(F)c1.
What is the InChIKey of 1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol?
The InChIKey is ONYUARAXKIORFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4O/c1-11(2,8-12(3,18)13(15,16)17)9-5-4-6-10(14)7-9/h4-7,18H,8H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol?
1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol has a molecular weight of 264.26 g/mol, XLogP of 3.81, 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-(3-fluorophenyl)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 173133106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).