1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene

C10H9ClF2 — CID 121350292

IUPAC1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene
SMILESCC(=CCCl)c1ccc(F)cc1F
InChIInChI=1S/C10H9ClF2/c1-7(4-5-11)9-3-2-8(12)6-10(9)13/h2-4,6H,5H2,1H3
InChIKeyRRESVMCBFNBPIB-UHFFFAOYSA-N
MW202.63 g/mol
LogP3.61
Rot. Bonds2

About 1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene

1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene (PubChem CID 121350292) has the molecular formula C10H9ClF2 and a molecular weight of 202.63 g/mol. Its IUPAC name is 1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene
PubChem CID121350292
Molecular FormulaC10H9ClF2
Molecular Weight202.63 g/mol
Exact Mass202.04
IUPAC Name1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene
SMILESCC(=CCCl)c1ccc(F)cc1F
InChIInChI=1S/C10H9ClF2/c1-7(4-5-11)9-3-2-8(12)6-10(9)13/h2-4,6H,5H2,1H3
InChIKeyRRESVMCBFNBPIB-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.63
LogP ≤ 53.61
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

(E)-5-(2,4-difluorophenyl)-3-methylidenehex-4-en-2-one
CID 166086953
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CID 10877333
3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide
CID 111976989
3-chloro-3-(2,4-difluorophenyl)-2-methylprop-2-enenitrile
CID 76922437
4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine
CID 79590011
1-but-1-en-2-yl-2,4-difluorobenzene
CID 57095622
2-chloro-1-(2,4-difluorophenyl)butan-1-one
CID 130136877
3-(2,4-difluorophenyl)but-3-en-2-ol
CID 23289047
Se-(2-oxopropyl) 2,4-difluorobenzenecarboselenoate
CID 151033646
3-(2,4-difluorophenyl)-1-(3-methylpiperazin-1-yl)but-2-en-1-one
CID 126794407
(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
CID 86591919
4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene
CID 58006826

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene?
The IUPAC name of 1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene (CID 121350292) is 1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene?
The canonical SMILES for 1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene is CC(=CCCl)c1ccc(F)cc1F.
What is the InChIKey of 1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene?
The InChIKey is RRESVMCBFNBPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2/c1-7(4-5-11)9-3-2-8(12)6-10(9)13/h2-4,6H,5H2,1H3.
What are the key properties of 1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene?
1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene has a molecular weight of 202.63 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene is sourced from PubChem (CID 121350292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).