1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene

C7HF13 — CID 91045205

IUPAC1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene
SMILESFC(=CC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF13/c8-2(4(11,12)6(15,16)17)1-3(9,10)5(13,14)7(18,19)20/h1H
InChIKeyIMFRQXJTPNCKAO-UHFFFAOYSA-N
MW332.06 g/mol
LogP4.87
Rot. Bonds3

About 1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene

1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene (PubChem CID 91045205) has the molecular formula C7HF13 and a molecular weight of 332.06 g/mol. Its IUPAC name is 1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene
PubChem CID91045205
Molecular FormulaC7HF13
Molecular Weight332.06 g/mol
Exact Mass331.99
IUPAC Name1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene
SMILESFC(=CC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF13/c8-2(4(11,12)6(15,16)17)1-3(9,10)5(13,14)7(18,19)20/h1H
InChIKeyIMFRQXJTPNCKAO-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.06
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene with MolForge

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Related Compounds

(E)-1,1,1,2,2,5,5,6,6,6-Decafluoro-3-hexene (HFO-153-10mczz-E)
CID 19780784
1H,2H-Hexafluorocyclopentene
CID 11309822
1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-Octadecafluoro-5-decene
CID 128620
1,3,3,4,4,5,5-Heptafluorocyclopentene
CID 11769384
4-Octene, 1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluoro-
CID 12751148
(2E)-1,1,1,4,4,5,5,6,6,6-Decafluorohex-2-ene
CID 12951081
(5E)-5H,6H-Octadecafluorodec-5-ene
CID 5702804
1,1,1,2,2,3,3,6,6,7,7,8,8,8-Tetradecafluorooct-4-ene
CID 54112968
1,1,1,2,2,5,5,6,6,7,7,8,8,8-Tetradecafluorooct-3-ene
CID 73985453
1,1,1,4,4,5,5,6,6,7,7,7-Dodecafluorohept-2-ene
CID 73985454
1,1,1,2,2,5,5,6,6,7,7,7-Dodecafluorohept-3-ene
CID 76545605
1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-Hexadecafluoronon-4-ene
CID 76545610

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene?
The IUPAC name of 1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene (CID 91045205) is 1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene.
What is the SMILES notation for 1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene?
The canonical SMILES for 1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene is FC(=CC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene?
The InChIKey is IMFRQXJTPNCKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF13/c8-2(4(11,12)6(15,16)17)1-3(9,10)5(13,14)7(18,19)20/h1H.
What are the key properties of 1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene?
1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene has a molecular weight of 332.06 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene is sourced from PubChem (CID 91045205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).