(E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene

C12H10F14 — CID 88590967

IUPAC(E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene
SMILESC/C=C/C(CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10F14/c1-2-3-6(4-7(13,9(15,16)17)10(18,19)20)5-8(14,11(21,22)23)12(24,25)26/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyHCAXZCYQIYDDNB-NSCUHMNNSA-N
MW420.18 g/mol
LogP6.62
Rot. Bonds5

About (E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene

(E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene (PubChem CID 88590967) has the molecular formula C12H10F14 and a molecular weight of 420.18 g/mol. Its IUPAC name is (E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene.

Molecular Properties

Compound Name(E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene
PubChem CID88590967
Molecular FormulaC12H10F14
Molecular Weight420.18 g/mol
Exact Mass420.06
IUPAC Name(E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene
SMILESC/C=C/C(CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10F14/c1-2-3-6(4-7(13,9(15,16)17)10(18,19)20)5-8(14,11(21,22)23)12(24,25)26/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyHCAXZCYQIYDDNB-NSCUHMNNSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.18
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene?
The IUPAC name of (E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene (CID 88590967) is (E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene.
What is the SMILES notation for (E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene?
The canonical SMILES for (E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene is C/C=C/C(CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene?
The InChIKey is HCAXZCYQIYDDNB-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H10F14/c1-2-3-6(4-7(13,9(15,16)17)10(18,19)20)5-8(14,11(21,22)23)12(24,25)26/h2-3,6H,4-5H2,1H3/b3-2+.
What are the key properties of (E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene?
(E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene has a molecular weight of 420.18 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene is sourced from PubChem (CID 88590967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).