2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene

C15H20ClF — CID 134441887

IUPAC2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene
SMILESCCCC(/C=C/c1ccc(F)c(Cl)c1)CCC
InChIInChI=1S/C15H20ClF/c1-3-5-12(6-4-2)7-8-13-9-10-15(17)14(16)11-13/h7-12H,3-6H2,1-2H3/b8-7+
InChIKeyIUMZSBTUKREVEY-BQYQJAHWSA-N
MW254.78 g/mol
LogP5.71
Rot. Bonds6

About 2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene

2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene (PubChem CID 134441887) has the molecular formula C15H20ClF and a molecular weight of 254.78 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene
PubChem CID134441887
Molecular FormulaC15H20ClF
Molecular Weight254.78 g/mol
Exact Mass254.12
IUPAC Name2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene
SMILESCCCC(/C=C/c1ccc(F)c(Cl)c1)CCC
InChIInChI=1S/C15H20ClF/c1-3-5-12(6-4-2)7-8-13-9-10-15(17)14(16)11-13/h7-12H,3-6H2,1-2H3/b8-7+
InChIKeyIUMZSBTUKREVEY-BQYQJAHWSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.78
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-1-fluoro-4-[(E)-3-methylbut-1-enyl]benzene
CID 20771904
(E)-4-(3-chloro-4-fluorophenyl)-N-methylbut-3-en-2-amine
CID 103092177
(Z)-3-(3-chloro-4-fluorophenyl)-N,N-diethylprop-2-enamide
CID 97305606
4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene
CID 170497026
4-(3-chloro-4-fluorophenyl)-N-methylbut-3-en-1-amine
CID 170495335
2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
CID 103041973
1-(3-chloro-4-fluorophenyl)pentan-2-amine
CID 103039784
(E)-3-(3-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]prop-2-enamide
CID 93041563
tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium
CID 102390527
2-[3-(3-chloro-4-fluorophenyl)prop-2-enoylamino]-4-methoxybutanoic acid
CID 76944120
ethyl 2-[3-(3-chloro-4-fluorophenyl)prop-2-enoyl-methylamino]acetate
CID 76912232
4-[(Z)-2-(bromomethyl)-3-methylbut-1-enyl]-2-chloro-1-fluorobenzene
CID 81157319

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene?
The IUPAC name of 2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene (CID 134441887) is 2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene is CCCC(/C=C/c1ccc(F)c(Cl)c1)CCC.
What is the InChIKey of 2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene?
The InChIKey is IUMZSBTUKREVEY-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H20ClF/c1-3-5-12(6-4-2)7-8-13-9-10-15(17)14(16)11-13/h7-12H,3-6H2,1-2H3/b8-7+.
What are the key properties of 2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene?
2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene has a molecular weight of 254.78 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-[(E)-3-propylhex-1-enyl]benzene is sourced from PubChem (CID 134441887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).