1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene

C9H2F16 — CID 91361269

IUPAC1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene
SMILESFC(F)(F)C(F)(F)C=CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H2F16/c10-4(11,8(20,21)22)2-1-3(6(14,15)16,7(17,18)19)5(12,13)9(23,24)25/h1-2H
InChIKeyWJJSBSLCSMLZIR-UHFFFAOYSA-N
MW414.08 g/mol
LogP6.05
Rot. Bonds3

About 1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene

1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene (PubChem CID 91361269) has the molecular formula C9H2F16 and a molecular weight of 414.08 g/mol. Its IUPAC name is 1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene.

Molecular Properties

Compound Name1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene
PubChem CID91361269
Molecular FormulaC9H2F16
Molecular Weight414.08 g/mol
Exact Mass413.99
IUPAC Name1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene
SMILESFC(F)(F)C(F)(F)C=CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H2F16/c10-4(11,8(20,21)22)2-1-3(6(14,15)16,7(17,18)19)5(12,13)9(23,24)25/h1-2H
InChIKeyWJJSBSLCSMLZIR-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.08
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene
CID 175725236
(E)-1,1,1,4,4,5,5,5-octafluoropent-2-ene
CID 18520951
1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene
CID 73177908
(Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene
CID 23234733
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,3,3,4,4,5,5,6,6,6-decafluorohex-1-ene
CID 87266464
1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene
CID 90757464
1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-docosafluorododec-1-ene
CID 87484232
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene;hydroiodide
CID 175246817
(E)-1,1,1,2,5,6,6,7,7,7-decafluoro-2,5-bis(trifluoromethyl)hept-3-ene
CID 87098662
(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
CID 13299944
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene?
The IUPAC name of 1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene (CID 91361269) is 1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene.
What is the SMILES notation for 1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene?
The canonical SMILES for 1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene is FC(F)(F)C(F)(F)C=CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene?
The InChIKey is WJJSBSLCSMLZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F16/c10-4(11,8(20,21)22)2-1-3(6(14,15)16,7(17,18)19)5(12,13)9(23,24)25/h1-2H.
What are the key properties of 1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene?
1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene has a molecular weight of 414.08 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene is sourced from PubChem (CID 91361269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).