1-chloro-4-(1-fluoroprop-1-enyl)benzene

C9H8ClF — CID 66592587

IUPAC1-chloro-4-(1-fluoroprop-1-enyl)benzene
SMILESCC=C(F)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClF/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6H,1H3
InChIKeyQAVPGZXFGYLQTN-UHFFFAOYSA-N
MW170.61 g/mol
LogP3.67
Rot. Bonds1

About 1-chloro-4-(1-fluoroprop-1-enyl)benzene

1-chloro-4-(1-fluoroprop-1-enyl)benzene (PubChem CID 66592587) has the molecular formula C9H8ClF and a molecular weight of 170.61 g/mol. Its IUPAC name is 1-chloro-4-(1-fluoroprop-1-enyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1-fluoroprop-1-enyl)benzene
PubChem CID66592587
Molecular FormulaC9H8ClF
Molecular Weight170.61 g/mol
Exact Mass170.03
IUPAC Name1-chloro-4-(1-fluoroprop-1-enyl)benzene
SMILESCC=C(F)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClF/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6H,1H3
InChIKeyQAVPGZXFGYLQTN-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.61
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene
CID 125477288
1-chloro-4-(3-chloro-1-fluoroprop-1-enyl)benzene
CID 67122554
1-chloro-4-[(Z)-1-iodoprop-1-enyl]benzene
CID 154712209
1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene
CID 58174508
2-[3-(4-chlorophenyl)-3-fluoroprop-2-enyl]-1,3-dioxolane
CID 173075526
4-chlorobenzoic acid;fluoromethane
CID 174932068
1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene
CID 70427275
(1Z,3E)-1-(4-chlorophenyl)penta-1,3-dien-1-ol
CID 142112185
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-chloro-4-[1-(4-chlorophenyl)-2-methoxyethenyl]benzene
CID 157400104
[(E)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-triethylsilane
CID 25242882

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-fluoroprop-1-enyl)benzene?
The IUPAC name of 1-chloro-4-(1-fluoroprop-1-enyl)benzene (CID 66592587) is 1-chloro-4-(1-fluoroprop-1-enyl)benzene.
What is the SMILES notation for 1-chloro-4-(1-fluoroprop-1-enyl)benzene?
The canonical SMILES for 1-chloro-4-(1-fluoroprop-1-enyl)benzene is CC=C(F)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1-fluoroprop-1-enyl)benzene?
The InChIKey is QAVPGZXFGYLQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6H,1H3.
What are the key properties of 1-chloro-4-(1-fluoroprop-1-enyl)benzene?
1-chloro-4-(1-fluoroprop-1-enyl)benzene has a molecular weight of 170.61 g/mol, XLogP of 3.67, 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-fluoroprop-1-enyl)benzene is sourced from PubChem (CID 66592587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).