(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene

C9H5Cl2F3 — CID 11770583

IUPAC(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
SMILESFC(F)(F)C(=C(Cl)Cl)c1ccccc1
InChIInChI=1S/C9H5Cl2F3/c10-8(11)7(9(12,13)14)6-4-2-1-3-5-6/h1-5H
InChIKeyXGJMAGKECNTHQF-UHFFFAOYSA-N
MW241.04 g/mol
LogP4.40
Rot. Bonds1

About (1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene

(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene (PubChem CID 11770583) has the molecular formula C9H5Cl2F3 and a molecular weight of 241.04 g/mol. Its IUPAC name is (1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
PubChem CID11770583
Molecular FormulaC9H5Cl2F3
Molecular Weight241.04 g/mol
Exact Mass239.97
IUPAC Name(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
SMILESFC(F)(F)C(=C(Cl)Cl)c1ccccc1
InChIInChI=1S/C9H5Cl2F3/c10-8(11)7(9(12,13)14)6-4-2-1-3-5-6/h1-5H
InChIKeyXGJMAGKECNTHQF-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene 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

(E)-2-bromo-4,4,4-trifluoro-3-phenylbut-2-enenitrile
CID 15142419
1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene
CID 166438756
[(E)-1-chloro-1,3,3,4,4,5,5,5-octafluoropent-1-en-2-yl]benzene
CID 23235181
[(E)-1,3,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxy]prop-1-en-2-yl]benzene
CID 10825346
1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene
CID 11747812
[(E)-1-(benzenesulfonyl)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene
CID 11025526
1-fluoro-3-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]benzene
CID 102466586
[(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene
CID 10729195
(E)-3-chloro-4,4,4-trifluoro-N,2-diphenylbut-2-en-1-imine
CID 177419498
[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 12566937
[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 12566938
4,4,5,5-tetramethyl-2-(1,3,3,3-tetrafluoro-2-phenylprop-1-enyl)-1,3,2-dioxaborolane
CID 171112040

Frequently Asked Questions

What is the IUPAC name of (1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene?
The IUPAC name of (1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene (CID 11770583) is (1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene.
What is the SMILES notation for (1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene?
The canonical SMILES for (1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene is FC(F)(F)C(=C(Cl)Cl)c1ccccc1.
What is the InChIKey of (1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene?
The InChIKey is XGJMAGKECNTHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F3/c10-8(11)7(9(12,13)14)6-4-2-1-3-5-6/h1-5H.
What are the key properties of (1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene?
(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene has a molecular weight of 241.04 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene is sourced from PubChem (CID 11770583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).