1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene

C9H8ClFO — CID 126581039

IUPAC1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene
SMILESC=C(Cl)c1ccc(OC)cc1F
InChIInChI=1S/C9H8ClFO/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5H,1H2,2H3
InChIKeyODOJHCQQHOIXCF-UHFFFAOYSA-N
MW186.61 g/mol
LogP3.04
Rot. Bonds2

About 1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene

1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene (PubChem CID 126581039) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene
PubChem CID126581039
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene
SMILESC=C(Cl)c1ccc(OC)cc1F
InChIInChI=1S/C9H8ClFO/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5H,1H2,2H3
InChIKeyODOJHCQQHOIXCF-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-methoxy-1-(1-phenylethenyl)benzene
CID 156698107
(Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile
CID 102883607
N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride
CID 174542772
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine
CID 135075443
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
2-fluoro-4-(4-methoxyphenyl)-1-prop-1-en-2-ylbenzene
CID 123711032
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
2-(2-fluoro-4-methoxyphenyl)-2-oxoacetaldehyde;hydrate
CID 2783263
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(5-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561116

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene (CID 126581039) is 1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene is C=C(Cl)c1ccc(OC)cc1F.
What is the InChIKey of 1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene?
The InChIKey is ODOJHCQQHOIXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5H,1H2,2H3.
What are the key properties of 1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene?
1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene has a molecular weight of 186.61 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 126581039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).