1,1-dichloroprop-2-enylbenzene

C9H8Cl2 — CID 23350286

IUPAC1,1-dichloroprop-2-enylbenzene
SMILESC=CC(Cl)(Cl)c1ccccc1
InChIInChI=1S/C9H8Cl2/c1-2-9(10,11)8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyFCDQNUZMWWZPJO-UHFFFAOYSA-N
MW187.07 g/mol
LogP3.50
Rot. Bonds2

About 1,1-dichloroprop-2-enylbenzene

1,1-dichloroprop-2-enylbenzene (PubChem CID 23350286) has the molecular formula C9H8Cl2 and a molecular weight of 187.07 g/mol. Its IUPAC name is 1,1-dichloroprop-2-enylbenzene.

Molecular Properties

Compound Name1,1-dichloroprop-2-enylbenzene
PubChem CID23350286
Molecular FormulaC9H8Cl2
Molecular Weight187.07 g/mol
Exact Mass186.00
IUPAC Name1,1-dichloroprop-2-enylbenzene
SMILESC=CC(Cl)(Cl)c1ccccc1
InChIInChI=1S/C9H8Cl2/c1-2-9(10,11)8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyFCDQNUZMWWZPJO-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.07
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-dichloroprop-2-enyl)-3-methylbenzene
CID 582368
1-(1,1-dichloroprop-2-enyl)-2-methylbenzene
CID 596709
(3,4-dimethyl-4-phenylhexa-1,5-dien-3-yl)benzene
CID 166095951
bis(1,1-diphenylprop-2-enyl)phosphane
CID 67252408
1,1-diphenylprop-2-enyl(ethenyl)silane
CID 173024270
1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine
CID 67646967
CID 135081440
CID 135081440
(1,2-dichloro-1,2-difluoro-2-phenylethyl)benzene
CID 15026496
dichloro(phenyl)methanol
CID 25493
(1-ethenyl-1-phenylprop-2-enoxy)benzene
CID 67928175
chlorobenzene;3,3,3-trifluoroprop-1-ene
CID 158678902
chloromethane;styrene
CID 122701035

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroprop-2-enylbenzene?
The IUPAC name of 1,1-dichloroprop-2-enylbenzene (CID 23350286) is 1,1-dichloroprop-2-enylbenzene.
What is the SMILES notation for 1,1-dichloroprop-2-enylbenzene?
The canonical SMILES for 1,1-dichloroprop-2-enylbenzene is C=CC(Cl)(Cl)c1ccccc1.
What is the InChIKey of 1,1-dichloroprop-2-enylbenzene?
The InChIKey is FCDQNUZMWWZPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2/c1-2-9(10,11)8-6-4-3-5-7-8/h2-7H,1H2.
What are the key properties of 1,1-dichloroprop-2-enylbenzene?
1,1-dichloroprop-2-enylbenzene has a molecular weight of 187.07 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroprop-2-enylbenzene is sourced from PubChem (CID 23350286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).