(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene

C7F14 — CID 2778718

IUPAC(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene
SMILESF/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F14/c8-1(2(9)4(12,13)14)3(10,11)5(15,16)6(17,18)7(19,20)21/b2-1+
InChIKeyUGHJWZHBCXGSAY-OWOJBTEDSA-N
MW350.05 g/mol
LogP5.17
Rot. Bonds3

About (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene

(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene (PubChem CID 2778718) has the molecular formula C7F14 and a molecular weight of 350.05 g/mol. Its IUPAC name is (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene
PubChem CID2778718
Molecular FormulaC7F14
Molecular Weight350.05 g/mol
Exact Mass349.98
IUPAC Name(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene
SMILESF/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F14/c8-1(2(9)4(12,13)14)3(10,11)5(15,16)6(17,18)7(19,20)21/b2-1+
InChIKeyUGHJWZHBCXGSAY-OWOJBTEDSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene?
The IUPAC name of (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene (CID 2778718) is (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene.
What is the SMILES notation for (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene?
The canonical SMILES for (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene is F/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene?
The InChIKey is UGHJWZHBCXGSAY-OWOJBTEDSA-N. The full InChI is InChI=1S/C7F14/c8-1(2(9)4(12,13)14)3(10,11)5(15,16)6(17,18)7(19,20)21/b2-1+.
What are the key properties of (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene?
(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene has a molecular weight of 350.05 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene is sourced from PubChem (CID 2778718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).