2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene

C9H8ClFO — CID 167530794

IUPAC2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene
SMILESCO/C=C/c1ccc(F)cc1Cl
InChIInChI=1S/C9H8ClFO/c1-12-5-4-7-2-3-8(11)6-9(7)10/h2-6H,1H3/b5-4+
InChIKeyAJBQUIHYWINIPW-SNAWJCMRSA-N
MW186.61 g/mol
LogP3.10
Rot. Bonds2

About 2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene

2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene (PubChem CID 167530794) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene.

Molecular Properties

Compound Name2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene
PubChem CID167530794
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene
SMILESCO/C=C/c1ccc(F)cc1Cl
InChIInChI=1S/C9H8ClFO/c1-12-5-4-7-2-3-8(11)6-9(7)10/h2-6H,1H3/b5-4+
InChIKeyAJBQUIHYWINIPW-SNAWJCMRSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473168
1,4-dichloro-2-(2-methoxyethenyl)benzene
CID 68671238
2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene
CID 167530935
1-fluoro-4-[(Z)-2-methoxyethenyl]benzene
CID 5370161
2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene
CID 167530937
1-chloro-3-[(E)-2-methoxyethenyl]-2-methylbenzene
CID 167713006
methyl 2-chloro-4-fluorobenzenesulfonate
CID 89056291
2,4-dichloro-1-[(Z)-2-(2-methoxyphenoxy)ethenyl]benzene
CID 54610251
2-chloro-1-[(E)-3-[(E)-3-(2-chloro-4-fluorophenyl)-1-(4-fluorophenyl)prop-2-enyl]sulfonyl-3-(4-fluorophenyl)prop-1-enyl]-4-fluorobenzene
CID 87962814
(E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]phenyl]prop-2-enoic acid
CID 150662250
2-chloro-4-fluoro-N-methylaniline
CID 21161232
4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde
CID 90314663

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene?
The IUPAC name of 2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene (CID 167530794) is 2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene.
What is the SMILES notation for 2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene?
The canonical SMILES for 2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene is CO/C=C/c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene?
The InChIKey is AJBQUIHYWINIPW-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H8ClFO/c1-12-5-4-7-2-3-8(11)6-9(7)10/h2-6H,1H3/b5-4+.
What are the key properties of 2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene?
2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene has a molecular weight of 186.61 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene is sourced from PubChem (CID 167530794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).