2-(1-chloroprop-2-enyl)-1,4-difluorobenzene

C9H7ClF2 — CID 69215793

IUPAC2-(1-chloroprop-2-enyl)-1,4-difluorobenzene
SMILESC=CC(Cl)c1cc(F)ccc1F
InChIInChI=1S/C9H7ClF2/c1-2-8(10)7-5-6(11)3-4-9(7)12/h2-5,8H,1H2
InChIKeyBUAPWQZSFQEWPA-UHFFFAOYSA-N
MW188.60 g/mol
LogP3.43
Rot. Bonds2

About 2-(1-chloroprop-2-enyl)-1,4-difluorobenzene

2-(1-chloroprop-2-enyl)-1,4-difluorobenzene (PubChem CID 69215793) has the molecular formula C9H7ClF2 and a molecular weight of 188.60 g/mol. Its IUPAC name is 2-(1-chloroprop-2-enyl)-1,4-difluorobenzene.

Molecular Properties

Compound Name2-(1-chloroprop-2-enyl)-1,4-difluorobenzene
PubChem CID69215793
Molecular FormulaC9H7ClF2
Molecular Weight188.60 g/mol
Exact Mass188.02
IUPAC Name2-(1-chloroprop-2-enyl)-1,4-difluorobenzene
SMILESC=CC(Cl)c1cc(F)ccc1F
InChIInChI=1S/C9H7ClF2/c1-2-8(10)7-5-6(11)3-4-9(7)12/h2-5,8H,1H2
InChIKeyBUAPWQZSFQEWPA-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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-(2,5-difluorophenyl)prop-2-en-1-ol
CID 58950540
(1R)-1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55278051
1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55282989
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942
1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
CID 63429945
1-(2-chloro-5-fluorophenyl)prop-2-en-1-amine
CID 55271189
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene
CID 82771504
2-(1-chloro-3-methylbutyl)-1,4-difluorobenzene
CID 61086362
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 142425604
2-(1-chloro-2-methylbutyl)-1,4-difluorobenzene
CID 61086565
1-(2,4-difluorophenyl)prop-2-en-1-amine
CID 55283550

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroprop-2-enyl)-1,4-difluorobenzene?
The IUPAC name of 2-(1-chloroprop-2-enyl)-1,4-difluorobenzene (CID 69215793) is 2-(1-chloroprop-2-enyl)-1,4-difluorobenzene.
What is the SMILES notation for 2-(1-chloroprop-2-enyl)-1,4-difluorobenzene?
The canonical SMILES for 2-(1-chloroprop-2-enyl)-1,4-difluorobenzene is C=CC(Cl)c1cc(F)ccc1F.
What is the InChIKey of 2-(1-chloroprop-2-enyl)-1,4-difluorobenzene?
The InChIKey is BUAPWQZSFQEWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2/c1-2-8(10)7-5-6(11)3-4-9(7)12/h2-5,8H,1H2.
What are the key properties of 2-(1-chloroprop-2-enyl)-1,4-difluorobenzene?
2-(1-chloroprop-2-enyl)-1,4-difluorobenzene has a molecular weight of 188.60 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroprop-2-enyl)-1,4-difluorobenzene is sourced from PubChem (CID 69215793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).