1,1,2,3,3,4,4-heptafluorohex-1-ene

C6H5F7 — CID 10846102

IUPAC1,1,2,3,3,4,4-heptafluorohex-1-ene
SMILESCCC(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H5F7/c1-2-5(10,11)6(12,13)3(7)4(8)9/h2H2,1H3
InChIKeyDEENNVPVRTYFBQ-UHFFFAOYSA-N
MW210.09 g/mol
LogP3.74
Rot. Bonds3

About 1,1,2,3,3,4,4-heptafluorohex-1-ene

1,1,2,3,3,4,4-heptafluorohex-1-ene (PubChem CID 10846102) has the molecular formula C6H5F7 and a molecular weight of 210.09 g/mol. Its IUPAC name is 1,1,2,3,3,4,4-heptafluorohex-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,4,4-heptafluorohex-1-ene
PubChem CID10846102
Molecular FormulaC6H5F7
Molecular Weight210.09 g/mol
Exact Mass210.03
IUPAC Name1,1,2,3,3,4,4-heptafluorohex-1-ene
SMILESCCC(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H5F7/c1-2-5(10,11)6(12,13)3(7)4(8)9/h2H2,1H3
InChIKeyDEENNVPVRTYFBQ-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 53.74
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

1H-Perfluorohex-1-ene
CID 21455498
(1Z)-1,2,3,3,4,4,5,5,6,6,6-Undecafluorohex-1-ene
CID 14922985
(1E)-1,2,3,3,4,4,5,5,6,6,6-Undecafluorohex-1-ene
CID 71669145
6H-Perfluorohex-1-ene
CID 2776155
1,1,2-Trifluorohex-1-ene
CID 10844440
Pentafluoro-1-hexene
CID 129801158
5,5,6,6,7,7,7-Heptafluorohepta-2,3-diene
CID 139264104
2,3,3-Trifluorohex-1-ene
CID 12951117
1,1,4,4,5,5,5-Heptafluoro-2-methylpent-1-ene
CID 23266238
1,1,2-Trifluoropent-1-ene
CID 2782638
1,1,2,3,3,4,4,5,5,6,6,7,7-Tridecafluorohept-1-ene
CID 14922983
1,1,2,3-Tetrafluorobut-1-ene
CID 18369764

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4-heptafluorohex-1-ene?
The IUPAC name of 1,1,2,3,3,4,4-heptafluorohex-1-ene (CID 10846102) is 1,1,2,3,3,4,4-heptafluorohex-1-ene.
What is the SMILES notation for 1,1,2,3,3,4,4-heptafluorohex-1-ene?
The canonical SMILES for 1,1,2,3,3,4,4-heptafluorohex-1-ene is CCC(F)(F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3,4,4-heptafluorohex-1-ene?
The InChIKey is DEENNVPVRTYFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7/c1-2-5(10,11)6(12,13)3(7)4(8)9/h2H2,1H3.
What are the key properties of 1,1,2,3,3,4,4-heptafluorohex-1-ene?
1,1,2,3,3,4,4-heptafluorohex-1-ene has a molecular weight of 210.09 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4-heptafluorohex-1-ene is sourced from PubChem (CID 10846102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).