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

C16H10ClF3O — CID 132570178

IUPAC4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol
SMILESOC(C#Cc1ccc(Cl)cc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H10ClF3O/c17-14-8-6-12(7-9-14)10-11-15(21,16(18,19)20)13-4-2-1-3-5-13/h1-9,21H
InChIKeyIYVKVCLOUOSFRW-UHFFFAOYSA-N
MW310.70 g/mol
LogP4.14
Rot. Bonds1

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

4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol (PubChem CID 132570178) has the molecular formula C16H10ClF3O and a molecular weight of 310.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol
PubChem CID132570178
Molecular FormulaC16H10ClF3O
Molecular Weight310.70 g/mol
Exact Mass310.04
IUPAC Name4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol
SMILESOC(C#Cc1ccc(Cl)cc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H10ClF3O/c17-14-8-6-12(7-9-14)10-11-15(21,16(18,19)20)13-4-2-1-3-5-13/h1-9,21H
InChIKeyIYVKVCLOUOSFRW-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dicofol
CID 8268
1,1-Bis(4-chlorophenyl)ethanol
CID 6624
Phenaglycodol
CID 6617
Fenpentadiol
CID 85896
Tris(4-chlorophenyl)methanol
CID 76379
4,4'-Dichlorobenzhydrol
CID 7033
4-Chlorobenzhydrol
CID 8401
Proclonol
CID 26450
(2-Chlorophenyl)diphenylmethanol
CID 298659
4-Chloro-alpha-(4-chlorophenyl)-alpha-(trifluoromethyl)benzenemethanol
CID 96881
1-(4-Chlorophenyl)-1-phenylethanol
CID 14189996
1-(4-Chlorophenyl)-2,2,2-trifluoroethanol
CID 260399

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol?
The IUPAC name of 4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol (CID 132570178) is 4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol is OC(C#Cc1ccc(Cl)cc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol?
The InChIKey is IYVKVCLOUOSFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3O/c17-14-8-6-12(7-9-14)10-11-15(21,16(18,19)20)13-4-2-1-3-5-13/h1-9,21H.
What are the key properties of 4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol?
4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol has a molecular weight of 310.70 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-ol is sourced from PubChem (CID 132570178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).