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

C7H2F12 — CID 87277497

IUPAC(E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene
SMILESFCC(F)(F)C(F)(F)C(F)(F)/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C7H2F12/c8-1-4(11,12)7(18,19)5(13,14)2(9)3(10)6(15,16)17/h1H2/b3-2+
InChIKeyCZMSONWYUBNNES-NSCUHMNNSA-N
MW314.07 g/mol
LogP4.57
Rot. Bonds4

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

(E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene (PubChem CID 87277497) has the molecular formula C7H2F12 and a molecular weight of 314.07 g/mol. Its IUPAC name is (E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene
PubChem CID87277497
Molecular FormulaC7H2F12
Molecular Weight314.07 g/mol
Exact Mass314.00
IUPAC Name(E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene
SMILESFCC(F)(F)C(F)(F)C(F)(F)/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C7H2F12/c8-1-4(11,12)7(18,19)5(13,14)2(9)3(10)6(15,16)17/h1H2/b3-2+
InChIKeyCZMSONWYUBNNES-NSCUHMNNSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.07
LogP ≤ 54.57
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-dodecafluorohept-2-ene?
The IUPAC name of (E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene (CID 87277497) is (E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene.
What is the SMILES notation for (E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene?
The canonical SMILES for (E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene is FCC(F)(F)C(F)(F)C(F)(F)/C(F)=C(\F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene?
The InChIKey is CZMSONWYUBNNES-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H2F12/c8-1-4(11,12)7(18,19)5(13,14)2(9)3(10)6(15,16)17/h1H2/b3-2+.
What are the key properties of (E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene?
(E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene has a molecular weight of 314.07 g/mol, XLogP of 4.57, 4 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-dodecafluorohept-2-ene is sourced from PubChem (CID 87277497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).