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

C16H12ClF3O — CID 89157740

IUPAC(E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
SMILESOC(/C=C/c1ccccc1)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C16H12ClF3O/c17-14-8-6-13(7-9-14)15(21,16(18,19)20)11-10-12-4-2-1-3-5-12/h1-11,21H/b11-10+
InChIKeyRJXBUPQHUBQDNK-ZHACJKMWSA-N
MW312.72 g/mol
LogP4.80
Rot. Bonds3

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

(E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol (PubChem CID 89157740) has the molecular formula C16H12ClF3O and a molecular weight of 312.72 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
PubChem CID89157740
Molecular FormulaC16H12ClF3O
Molecular Weight312.72 g/mol
Exact Mass312.05
IUPAC Name(E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
SMILESOC(/C=C/c1ccccc1)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C16H12ClF3O/c17-14-8-6-13(7-9-14)15(21,16(18,19)20)11-10-12-4-2-1-3-5-12/h1-11,21H/b11-10+
InChIKeyRJXBUPQHUBQDNK-ZHACJKMWSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol?
The IUPAC name of (E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol (CID 89157740) is (E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol?
The canonical SMILES for (E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol is OC(/C=C/c1ccccc1)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of (E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol?
The InChIKey is RJXBUPQHUBQDNK-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H12ClF3O/c17-14-8-6-13(7-9-14)15(21,16(18,19)20)11-10-12-4-2-1-3-5-12/h1-11,21H/b11-10+.
What are the key properties of (E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol?
(E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol has a molecular weight of 312.72 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 89157740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).