5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene

C11H2F10 — CID 139366703

IUPAC5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene
SMILESFC(F)=C(F)c1cc(F)cc(C(F)=C(F)F)c1C(F)(F)F
InChIInChI=1S/C11H2F10/c12-3-1-4(7(13)9(15)16)6(11(19,20)21)5(2-3)8(14)10(17)18/h1-2H
InChIKeyMACOQEGRKJGLEM-UHFFFAOYSA-N
MW324.12 g/mol
LogP5.91
Rot. Bonds2

About 5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene

5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene (PubChem CID 139366703) has the molecular formula C11H2F10 and a molecular weight of 324.12 g/mol. Its IUPAC name is 5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene
PubChem CID139366703
Molecular FormulaC11H2F10
Molecular Weight324.12 g/mol
Exact Mass324.00
IUPAC Name5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene
SMILESFC(F)=C(F)c1cc(F)cc(C(F)=C(F)F)c1C(F)(F)F
InChIInChI=1S/C11H2F10/c12-3-1-4(7(13)9(15)16)6(11(19,20)21)5(2-3)8(14)10(17)18/h1-2H
InChIKeyMACOQEGRKJGLEM-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.12
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,5-difluoro-2,3-bis(1,2,2-trifluoroethenyl)benzene
CID 134401266
3-cyano-5-fluoro-2-(trifluoromethyl)benzamide
CID 171031115
3,5-difluoro-2-(trifluoromethyl)aniline
CID 2783410
1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171031801
ethyl 3-amino-5-fluoro-2-(trifluoromethyl)benzoate
CID 171029836
2-fluoro-3-(trifluoromethyl)benzene-1,4-diol
CID 143639383
1,3,5-triiodo-2-(trifluoromethyl)benzene
CID 54176960
2-[5-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetonitrile
CID 171020418
(1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
CID 177201389
3,7-diamino-1,5-bis(trifluoromethyl)naphthalene-2,6-diol
CID 22613354
1-chloro-3-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)benzene
CID 171009081
5-chloro-1,3-difluoro-2-(trifluoromethyl)benzene
CID 23450922

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene (CID 139366703) is 5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene is FC(F)=C(F)c1cc(F)cc(C(F)=C(F)F)c1C(F)(F)F.
What is the InChIKey of 5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene?
The InChIKey is MACOQEGRKJGLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H2F10/c12-3-1-4(7(13)9(15)16)6(11(19,20)21)5(2-3)8(14)10(17)18/h1-2H.
What are the key properties of 5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene?
5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene has a molecular weight of 324.12 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-bis(1,2,2-trifluoroethenyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 139366703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).