1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene

C7H2F10 — CID 87708394

IUPAC1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene
SMILESFC1=C(F)C(F)(C(F)(F)F)C(F)(F)CC1(F)F
InChIInChI=1S/C7H2F10/c8-2-3(9)6(14,7(15,16)17)5(12,13)1-4(2,10)11/h1H2
InChIKeyZTSHAUKUVMEXOR-UHFFFAOYSA-N
MW276.07 g/mol
LogP4.08
Rot. Bonds

About 1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene

1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene (PubChem CID 87708394) has the molecular formula C7H2F10 and a molecular weight of 276.07 g/mol. Its IUPAC name is 1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene
PubChem CID87708394
Molecular FormulaC7H2F10
Molecular Weight276.07 g/mol
Exact Mass276.00
IUPAC Name1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene
SMILESFC1=C(F)C(F)(C(F)(F)F)C(F)(F)CC1(F)F
InChIInChI=1S/C7H2F10/c8-2-3(9)6(14,7(15,16)17)5(12,13)1-4(2,10)11/h1H2
InChIKeyZTSHAUKUVMEXOR-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-2,3,4,4-tetrakis(trifluoromethyl)cyclobutene
CID 154989601
5-[difluoro-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-1,2,3,4,6-pentafluoro-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 141498998
2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 12566761
(7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 125496698
[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]methanol
CID 58388254
1-ethyl-2,2-difluoro-1-(trifluoromethyl)cyclopropane
CID 121274020
3,4,5-trifluoro-3-(trifluoromethyl)-2H-pyridine
CID 88698110
7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine
CID 154154030
2,3-difluoro-2-(trifluoromethyl)azirine
CID 6420998
2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 58388253
3,4,4,5-tetrafluoro-3,5-bis(trifluoromethyl)oxane-2,6-dione
CID 87925233
3,3,4,5-tetrafluoro-2,2-bis(trifluoromethyl)furan
CID 139601556

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene?
The IUPAC name of 1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene (CID 87708394) is 1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene?
The canonical SMILES for 1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene is FC1=C(F)C(F)(C(F)(F)F)C(F)(F)CC1(F)F.
What is the InChIKey of 1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene?
The InChIKey is ZTSHAUKUVMEXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F10/c8-2-3(9)6(14,7(15,16)17)5(12,13)1-4(2,10)11/h1H2.
What are the key properties of 1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene?
1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene has a molecular weight of 276.07 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 87708394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).