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

C9H2F16 — CID 175725236

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

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

1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene (PubChem CID 175725236) has the molecular formula C9H2F16 and a molecular weight of 414.08 g/mol. Its IUPAC name is 1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene.

Molecular Properties

Compound Name1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene
PubChem CID175725236
Molecular FormulaC9H2F16
Molecular Weight414.08 g/mol
Exact Mass413.99
IUPAC Name1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene
SMILESFC(F)(F)C=CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H2F16/c10-4(11,12)2-1-3(7(17,18)19,8(20,21)22)5(13,14)6(15,16)9(23,24)25/h1-2H
InChIKeyMMTJASYLKZSQJD-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'}

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Related Compounds

1,1,1,2,2,6,6,7,7,7-decafluoro-5,5-bis(trifluoromethyl)hept-3-ene
CID 91361269
1,1,1,4,4,5,5,6,6,6-decafluorohex-2-ene
CID 73177908
(E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene
CID 121267619
(E)-1,1,1,4,4,5,5,5-octafluoropent-2-ene
CID 18520951
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,4,4,5,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-2-ene
CID 90757464
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene?
The IUPAC name of 1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene (CID 175725236) is 1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene.
What is the SMILES notation for 1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene?
The canonical SMILES for 1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene is FC(F)(F)C=CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene?
The InChIKey is MMTJASYLKZSQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F16/c10-4(11,12)2-1-3(7(17,18)19,8(20,21)22)5(13,14)6(15,16)9(23,24)25/h1-2H.
What are the key properties of 1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene?
1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-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 1,1,1,5,5,6,6,7,7,7-decafluoro-4,4-bis(trifluoromethyl)hept-2-ene is sourced from PubChem (CID 175725236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).