1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene

C9H4ClF5 — CID 15339962

IUPAC1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene
SMILESFC(F)=C(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H4ClF5/c10-6-3-1-5(2-4-6)7(8(11)12)9(13,14)15/h1-4H
InChIKeyVNRLHCIQDDYJQJ-UHFFFAOYSA-N
MW242.57 g/mol
LogP4.51
Rot. Bonds1

About 1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene

1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene (PubChem CID 15339962) has the molecular formula C9H4ClF5 and a molecular weight of 242.57 g/mol. Its IUPAC name is 1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene
PubChem CID15339962
Molecular FormulaC9H4ClF5
Molecular Weight242.57 g/mol
Exact Mass241.99
IUPAC Name1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene
SMILESFC(F)=C(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H4ClF5/c10-6-3-1-5(2-4-6)7(8(11)12)9(13,14)15/h1-4H
InChIKeyVNRLHCIQDDYJQJ-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.57
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene
CID 71393992
(E)-3-(4-chlorophenyl)-2,4,4,4-tetrafluoro-1-(2-methoxyphenyl)but-2-en-1-ol
CID 12008353
1-chloro-4-[2,2-difluoro-1-(4-fluorophenyl)ethenyl]benzene
CID 11715966
4-chloro(13C)benzoic acid
CID 66995527
4-chlorobenzoic acid;fluoromethane
CID 174932068
1-chloro-4-(1-fluoroprop-1-enyl)benzene
CID 66592587
(3Z)-3-[(4-chlorophenyl)-hydroxymethylidene]-1,1,1-trifluoropentan-2-one
CID 10802587
1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene
CID 177387883
1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene
CID 125477288
(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 11770583
N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide
CID 46191524

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene?
The IUPAC name of 1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene (CID 15339962) is 1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene?
The canonical SMILES for 1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene is FC(F)=C(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene?
The InChIKey is VNRLHCIQDDYJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF5/c10-6-3-1-5(2-4-6)7(8(11)12)9(13,14)15/h1-4H.
What are the key properties of 1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene?
1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene has a molecular weight of 242.57 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene is sourced from PubChem (CID 15339962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).