1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene

C7F14 — CID 71362192

IUPAC1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene
SMILESFC(=C(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F14/c8-1(2(9)4(11,12)13)3(10,6(16,17)18)5(14,15)7(19,20)21
InChIKeyFELFLFZHARIVRJ-UHFFFAOYSA-N
MW350.05 g/mol
LogP5.17
Rot. Bonds2

About 1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene

1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene (PubChem CID 71362192) has the molecular formula C7F14 and a molecular weight of 350.05 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene
PubChem CID71362192
Molecular FormulaC7F14
Molecular Weight350.05 g/mol
Exact Mass349.98
IUPAC Name1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene
SMILESFC(=C(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F14/c8-1(2(9)4(11,12)13)3(10,6(16,17)18)5(14,15)7(19,20)21
InChIKeyFELFLFZHARIVRJ-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.05
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4,5,5,6,6,6-heptafluoro-2,4-bis(trifluoromethyl)hex-2-enoic acid
CID 173101382
1,1,1,2,2,4,5,6,7,7,8,8,9,9,9-pentadecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)nona-3,5-diene
CID 175349151
1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 173307973
(E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol
CID 139594305
(3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene
CID 5462741
(E)-1,1,1,2,3,4-hexafluoro-4-methylpent-2-ene
CID 163535527
1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-amine
CID 173458712
4-(difluoromethyl)-1,1,1,2,3,4,5,5,5-nonafluoropent-2-ene
CID 141179739
1,1,1,2,2,3,3,4,4,5,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-5-ene
CID 85237088
1,1,2,3,3,3-hexafluoroprop-1-ene hexafluoride
CID 158507294
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrofluoride
CID 162622378
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
CID 88822630

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene?
The IUPAC name of 1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene (CID 71362192) is 1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene.
What is the SMILES notation for 1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene?
The canonical SMILES for 1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene is FC(=C(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene?
The InChIKey is FELFLFZHARIVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14/c8-1(2(9)4(11,12)13)3(10,6(16,17)18)5(14,15)7(19,20)21.
What are the key properties of 1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene?
1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene has a molecular weight of 350.05 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene is sourced from PubChem (CID 71362192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).