(E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol

C16H13F3O — CID 11044091

IUPAC(E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol
SMILESOC(/C=C/c1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H13F3O/c17-16(18,19)15(20,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,20H/b12-11+
InChIKeyLUHFXZAAVMXXMR-VAWYXSNFSA-N
MW278.27 g/mol
LogP4.15
Rot. Bonds3

About (E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol

(E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol (PubChem CID 11044091) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol
PubChem CID11044091
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name(E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol
SMILESOC(/C=C/c1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H13F3O/c17-16(18,19)15(20,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,20H/b12-11+
InChIKeyLUHFXZAAVMXXMR-VAWYXSNFSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol?
The IUPAC name of (E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol (CID 11044091) is (E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol.
What is the SMILES notation for (E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol?
The canonical SMILES for (E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol is OC(/C=C/c1ccccc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol?
The InChIKey is LUHFXZAAVMXXMR-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H13F3O/c17-16(18,19)15(20,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,20H/b12-11+.
What are the key properties of (E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol?
(E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol has a molecular weight of 278.27 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol is sourced from PubChem (CID 11044091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).