6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene

C12H16F8 — CID 58901154

IUPAC6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene
SMILESC=CCC(CC(C)(C)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F8/c1-4-5-8(6-9(2,3)13)7-10(14,11(15,16)17)12(18,19)20/h4,8H,1,5-7H2,2-3H3
InChIKeyJJXDWCFRXIXTHP-UHFFFAOYSA-N
MW312.24 g/mol
LogP5.54
Rot. Bonds6

About 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene

6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene (PubChem CID 58901154) has the molecular formula C12H16F8 and a molecular weight of 312.24 g/mol. Its IUPAC name is 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene.

Molecular Properties

Compound Name6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene
PubChem CID58901154
Molecular FormulaC12H16F8
Molecular Weight312.24 g/mol
Exact Mass312.11
IUPAC Name6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene
SMILESC=CCC(CC(C)(C)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F8/c1-4-5-8(6-9(2,3)13)7-10(14,11(15,16)17)12(18,19)20/h4,8H,1,5-7H2,2-3H3
InChIKeyJJXDWCFRXIXTHP-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.24
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene
CID 91535959
4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane
CID 58901248
(4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene
CID 129359665
4-(chloromethyl)-6,6-difluorooct-1-ene
CID 165443006
6,6-dimethyl-4-propylhept-1-ene
CID 123561770
(4R)-5,5,5-trifluoro-4-methylpent-1-ene
CID 89023731
1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol
CID 20760669
ethene;4-ethylhex-1-ene
CID 159399050
1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane
CID 87159283
6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene
CID 87159227
4,5,5,5-tetrafluoro-4-methylpent-1-ene
CID 58901177
(4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene
CID 90261567

Frequently Asked Questions

What is the IUPAC name of 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene?
The IUPAC name of 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene (CID 58901154) is 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene.
What is the SMILES notation for 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene?
The canonical SMILES for 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene is C=CCC(CC(C)(C)F)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene?
The InChIKey is JJXDWCFRXIXTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F8/c1-4-5-8(6-9(2,3)13)7-10(14,11(15,16)17)12(18,19)20/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene?
6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene has a molecular weight of 312.24 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene is sourced from PubChem (CID 58901154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).