1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene

C8H2F14 — CID 90757464

IUPAC1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene
SMILESFC(F)(F)C=CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H2F14/c9-3(10,1-2-4(11,12)13)6(15,16)5(14,7(17,18)19)8(20,21)22/h1-2H
InChIKeyHBRPTBHEGLRYCI-UHFFFAOYSA-N
MW364.08 g/mol
LogP5.21
Rot. Bonds3

About 1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene

1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene (PubChem CID 90757464) has the molecular formula C8H2F14 and a molecular weight of 364.08 g/mol. Its IUPAC name is 1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene
PubChem CID90757464
Molecular FormulaC8H2F14
Molecular Weight364.08 g/mol
Exact Mass363.99
IUPAC Name1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene
SMILESFC(F)(F)C=CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H2F14/c9-3(10,1-2-4(11,12)13)6(15,16)5(14,7(17,18)19)8(20,21)22/h1-2H
InChIKeyHBRPTBHEGLRYCI-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.08
LogP ≤ 55.21
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'}

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Related Compounds

1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene
CID 73177908
(E)-1,1,1,4,4,5,5,5-octafluoropent-2-ene
CID 18520951
1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene
CID 175725236
4,4-dichloro-1,1,1,5,5,5-hexafluoropent-2-ene
CID 168864635
(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane
CID 90329560
(E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene
CID 121267619
1,3,3,4,4,5,5,6,6,6-decafluorohex-1-ene
CID 87266464
carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene
CID 160871889
1,1,1,6,6,6-hexafluorohexa-2,4-diene
CID 71367258
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
1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene
CID 91361269
1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane
CID 89358349

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene?
The IUPAC name of 1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene (CID 90757464) is 1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene.
What is the SMILES notation for 1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene?
The canonical SMILES for 1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene is FC(F)(F)C=CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene?
The InChIKey is HBRPTBHEGLRYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F14/c9-3(10,1-2-4(11,12)13)6(15,16)5(14,7(17,18)19)8(20,21)22/h1-2H.
What are the key properties of 1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene?
1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene has a molecular weight of 364.08 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene is sourced from PubChem (CID 90757464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).