1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene

C9H7ClF2 — CID 131874054

IUPAC1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene
SMILESFc1cccc(/C=C/CCl)c1F
InChIInChI=1S/C9H7ClF2/c10-6-2-4-7-3-1-5-8(11)9(7)12/h1-5H,6H2/b4-2+
InChIKeyWDLYVUDYLFIRTJ-DUXPYHPUSA-N
MW188.60 g/mol
LogP3.22
Rot. Bonds2

About 1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene

1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene (PubChem CID 131874054) has the molecular formula C9H7ClF2 and a molecular weight of 188.60 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene
PubChem CID131874054
Molecular FormulaC9H7ClF2
Molecular Weight188.60 g/mol
Exact Mass188.02
IUPAC Name1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene
SMILESFc1cccc(/C=C/CCl)c1F
InChIInChI=1S/C9H7ClF2/c10-6-2-4-7-3-1-5-8(11)9(7)12/h1-5H,6H2/b4-2+
InChIKeyWDLYVUDYLFIRTJ-DUXPYHPUSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.60
LogP ≤ 53.22
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

4-(3-chloroprop-1-enyl)-2,3-difluoroaniline
CID 169477392
S-[3-(2,3-difluorophenyl)prop-2-enyl] ethanethioate
CID 169456758
1,2-dichloro-3-(3-chloroprop-1-enyl)benzene
CID 79334722
1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene
CID 169478313
S-[4-(2,3-difluorophenyl)but-3-enyl] ethanethioate
CID 170479664
1-[2-(chloromethyl)-3-methylbut-1-enyl]-2,3-difluorobenzene
CID 79334024
3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
CID 169463183
[(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid
CID 155391982
4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 170486532
4-(2-fluoro-3-methylphenyl)but-3-en-1-amine
CID 170486516
(E)-4-(2,3-difluorophenyl)-2-oxobut-3-enoic acid
CID 103200058
2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride
CID 169477591

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene?
The IUPAC name of 1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene (CID 131874054) is 1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene is Fc1cccc(/C=C/CCl)c1F.
What is the InChIKey of 1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene?
The InChIKey is WDLYVUDYLFIRTJ-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H7ClF2/c10-6-2-4-7-3-1-5-8(11)9(7)12/h1-5H,6H2/b4-2+.
What are the key properties of 1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene?
1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene has a molecular weight of 188.60 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-1-enyl]-2,3-difluorobenzene is sourced from PubChem (CID 131874054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).