1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene

C9H6F4O — CID 118269546

IUPAC1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene
SMILESC=Cc1cccc(F)c1OC(F)(F)F
InChIInChI=1S/C9H6F4O/c1-2-6-4-3-5-7(10)8(6)14-9(11,12)13/h2-5H,1H2
InChIKeyHFTPQOPOQOUJOX-UHFFFAOYSA-N
MW206.14 g/mol
LogP3.37
Rot. Bonds2

About 1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene

1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene (PubChem CID 118269546) has the molecular formula C9H6F4O and a molecular weight of 206.14 g/mol. Its IUPAC name is 1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene
PubChem CID118269546
Molecular FormulaC9H6F4O
Molecular Weight206.14 g/mol
Exact Mass206.04
IUPAC Name1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene
SMILESC=Cc1cccc(F)c1OC(F)(F)F
InChIInChI=1S/C9H6F4O/c1-2-6-4-3-5-7(10)8(6)14-9(11,12)13/h2-5H,1H2
InChIKeyHFTPQOPOQOUJOX-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-bromoethenyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 178190874
2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene
CID 118269282
3-fluoro-2-[[3-(trifluoromethoxy)phenyl]methoxy]benzaldehyde
CID 122475316
1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
CID 67824410
1-fluoro-6-(trifluoromethoxy)naphthalene
CID 133084221
CID 67878092
CID 67878092
1,2-bis(ethenyl)benzene;platinum
CID 175428021
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
1,3-diiodo-2-(trifluoromethoxy)benzene
CID 151510849
4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine
CID 99770322
3-ethyl-2-(trifluoromethoxy)benzaldehyde
CID 170999043
3-chloro-1-[3-fluoro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134626100

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene (CID 118269546) is 1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene is C=Cc1cccc(F)c1OC(F)(F)F.
What is the InChIKey of 1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene?
The InChIKey is HFTPQOPOQOUJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O/c1-2-6-4-3-5-7(10)8(6)14-9(11,12)13/h2-5H,1H2.
What are the key properties of 1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene?
1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene has a molecular weight of 206.14 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-fluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 118269546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).