1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene

C15H10ClF3 — CID 134838792

IUPAC1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene
SMILESFC(F)(F)C(Cl)=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H10ClF3/c16-14(15(17,18)19)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H
InChIKeyFVKQLXCJOSZSAD-UHFFFAOYSA-N
MW282.69 g/mol
LogP5.50
Rot. Bonds2

About 1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene

1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene (PubChem CID 134838792) has the molecular formula C15H10ClF3 and a molecular weight of 282.69 g/mol. Its IUPAC name is 1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene
PubChem CID134838792
Molecular FormulaC15H10ClF3
Molecular Weight282.69 g/mol
Exact Mass282.04
IUPAC Name1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene
SMILESFC(F)(F)C(Cl)=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H10ClF3/c16-14(15(17,18)19)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H
InChIKeyFVKQLXCJOSZSAD-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.69
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene 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

1-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-4-nitrobenzene
CID 11299727
2-(4-phenylphenyl)ethene-1,1-diamine
CID 173373118
1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene
CID 14906848
[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene
CID 640491
1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide
CID 173399011
1-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2-nitrobenzene
CID 101491955
(Z)-2-fluoro-1,3-bis(4-phenylphenyl)prop-2-en-1-ol
CID 15461019
(E)-3-methyl-4-(4-phenylphenyl)but-3-en-2-one
CID 6040789
1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
CID 22765483
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
(Z)-4-phenyl-3-(trifluoromethyl)but-3-enamide
CID 71195629

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene?
The IUPAC name of 1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene (CID 134838792) is 1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene.
What is the SMILES notation for 1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene?
The canonical SMILES for 1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene is FC(F)(F)C(Cl)=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene?
The InChIKey is FVKQLXCJOSZSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3/c16-14(15(17,18)19)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene?
1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene has a molecular weight of 282.69 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene is sourced from PubChem (CID 134838792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).