1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene

C13H16ClF — CID 83925287

IUPAC1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene
SMILESCC/C=C\CC(C)c1c(F)cccc1Cl
InChIInChI=1S/C13H16ClF/c1-3-4-5-7-10(2)13-11(14)8-6-9-12(13)15/h4-6,8-10H,3,7H2,1-2H3/b5-4-
InChIKeyYYTCJEVLIKFLSH-PLNGDYQASA-N
MW226.72 g/mol
LogP4.94
Rot. Bonds4

About 1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene

1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene (PubChem CID 83925287) has the molecular formula C13H16ClF and a molecular weight of 226.72 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene
PubChem CID83925287
Molecular FormulaC13H16ClF
Molecular Weight226.72 g/mol
Exact Mass226.09
IUPAC Name1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene
SMILESCC/C=C\CC(C)c1c(F)cccc1Cl
InChIInChI=1S/C13H16ClF/c1-3-4-5-7-10(2)13-11(14)8-6-9-12(13)15/h4-6,8-10H,3,7H2,1-2H3/b5-4-
InChIKeyYYTCJEVLIKFLSH-PLNGDYQASA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene
CID 83924962
1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene
CID 83925405
4-(2-chloro-6-fluorophenyl)pentan-1-amine
CID 83925264
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
[1-(2-chloro-6-fluorophenyl)-2-methylbutyl]hydrazine
CID 105325664
2-[bromo-(4-butan-2-ylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 63438382
3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
1-(2-chloro-6-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105017578
2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
CID 83925233
2-butan-2-yl-1,3-difluorobenzene
CID 56605716
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
3-(2-chloro-6-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 114275307

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene?
The IUPAC name of 1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene (CID 83925287) is 1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene is CC/C=C\CC(C)c1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene?
The InChIKey is YYTCJEVLIKFLSH-PLNGDYQASA-N. The full InChI is InChI=1S/C13H16ClF/c1-3-4-5-7-10(2)13-11(14)8-6-9-12(13)15/h4-6,8-10H,3,7H2,1-2H3/b5-4-.
What are the key properties of 1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene?
1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene has a molecular weight of 226.72 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene is sourced from PubChem (CID 83925287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).