1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene

C9H8ClFO — CID 176698285

IUPAC1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene
SMILESC=Cc1cc(F)c(Cl)cc1OC
InChIInChI=1S/C9H8ClFO/c1-3-6-4-8(11)7(10)5-9(6)12-2/h3-5H,1H2,2H3
InChIKeyPQUZBXMDJDROHJ-UHFFFAOYSA-N
MW186.61 g/mol
LogP3.13
Rot. Bonds2

About 1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene

1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene (PubChem CID 176698285) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene.

Molecular Properties

Compound Name1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene
PubChem CID176698285
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene
SMILESC=Cc1cc(F)c(Cl)cc1OC
InChIInChI=1S/C9H8ClFO/c1-3-6-4-8(11)7(10)5-9(6)12-2/h3-5H,1H2,2H3
InChIKeyPQUZBXMDJDROHJ-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2,4-difluoro-5-methoxybenzene
CID 124706419
(NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine
CID 169127326
1-chloro-2-ethenyl-4,5-difluorobenzene
CID 175575459
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
2-ethenyl-5-fluoro-4-methoxy-N-methylaniline
CID 122519559
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576
1-tert-butyl-5-chloro-4-fluoro-2-methoxybenzene
CID 177095864
2-(4-chloro-5-fluoro-2-methoxyphenyl)acetonitrile
CID 171007005
1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene
CID 70136526
5-ethenyl-4-methoxy-2-methylbenzaldehyde
CID 167242721
5-ethenyl-6-methoxy-1,3-benzodioxole
CID 102182518
2-chloro-4-ethenyl-1-methoxybenzene
CID 11147958

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene?
The IUPAC name of 1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene (CID 176698285) is 1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene.
What is the SMILES notation for 1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene?
The canonical SMILES for 1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene is C=Cc1cc(F)c(Cl)cc1OC.
What is the InChIKey of 1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene?
The InChIKey is PQUZBXMDJDROHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c1-3-6-4-8(11)7(10)5-9(6)12-2/h3-5H,1H2,2H3.
What are the key properties of 1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene?
1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene has a molecular weight of 186.61 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene is sourced from PubChem (CID 176698285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).