5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene

C9H6Cl2F2 — CID 169478438

IUPAC5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene
SMILESFc1cc(Cl)cc(F)c1C=CCCl
InChIInChI=1S/C9H6Cl2F2/c10-3-1-2-7-8(12)4-6(11)5-9(7)13/h1-2,4-5H,3H2
InChIKeyGFSWXZQGOFUPAA-UHFFFAOYSA-N
MW223.05 g/mol
LogP3.87
Rot. Bonds2

About 5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene

5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene (PubChem CID 169478438) has the molecular formula C9H6Cl2F2 and a molecular weight of 223.05 g/mol. Its IUPAC name is 5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene
PubChem CID169478438
Molecular FormulaC9H6Cl2F2
Molecular Weight223.05 g/mol
Exact Mass221.98
IUPAC Name5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene
SMILESFc1cc(Cl)cc(F)c1C=CCCl
InChIInChI=1S/C9H6Cl2F2/c10-3-1-2-7-8(12)4-6(11)5-9(7)13/h1-2,4-5H,3H2
InChIKeyGFSWXZQGOFUPAA-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.05
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-dichloro-2-(3-chloroprop-1-enyl)benzene
CID 169476910
1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene
CID 169478313
5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine
CID 169477081
3-chloro-5-(3-chloroprop-1-enyl)phenol
CID 169476931
methyl 3-(4-chloro-2,6-difluorophenyl)prop-2-enoate
CID 169479857
2-(3-chloroprop-1-enyl)-1-fluoro-4-methoxybenzene
CID 169477196
1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene
CID 170498718
(E)-3-(3-chloro-2,4,6-trifluorophenyl)prop-2-en-1-amine
CID 117317236
4-(4-aminobut-1-enyl)-3,5-difluoroaniline
CID 170487004
4-(3-chloroprop-1-enyl)-3,5-dimethylaniline
CID 169477372
5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene
CID 169477157
4-chloro-1-[(E)-5-chloropent-2-enyl]-2-fluorobenzene
CID 114862374

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene?
The IUPAC name of 5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene (CID 169478438) is 5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene.
What is the SMILES notation for 5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene?
The canonical SMILES for 5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene is Fc1cc(Cl)cc(F)c1C=CCCl.
What is the InChIKey of 5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene?
The InChIKey is GFSWXZQGOFUPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F2/c10-3-1-2-7-8(12)4-6(11)5-9(7)13/h1-2,4-5H,3H2.
What are the key properties of 5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene?
5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene has a molecular weight of 223.05 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chloroprop-1-enyl)-1,3-difluorobenzene is sourced from PubChem (CID 169478438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).