5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene

C7HF13 — CID 87786192

IUPAC5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)(F)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C7HF13/c8-1(2(9)10)5(14,15)6(16,17)4(13,3(11)12)7(18,19)20/h3H
InChIKeyNNQASGLZKJDXTP-UHFFFAOYSA-N
MW332.06 g/mol
LogP4.87
Rot. Bonds4

About 5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene

5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene (PubChem CID 87786192) has the molecular formula C7HF13 and a molecular weight of 332.06 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene.

Molecular Properties

Compound Name5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene
PubChem CID87786192
Molecular FormulaC7HF13
Molecular Weight332.06 g/mol
Exact Mass331.99
IUPAC Name5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)(F)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C7HF13/c8-1(2(9)10)5(14,15)6(16,17)4(13,3(11)12)7(18,19)20/h3H
InChIKeyNNQASGLZKJDXTP-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene?
The IUPAC name of 5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene (CID 87786192) is 5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene.
What is the SMILES notation for 5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene?
The canonical SMILES for 5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene is FC(F)=C(F)C(F)(F)C(F)(F)C(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene?
The InChIKey is NNQASGLZKJDXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF13/c8-1(2(9)10)5(14,15)6(16,17)4(13,3(11)12)7(18,19)20/h3H.
What are the key properties of 5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene?
5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene has a molecular weight of 332.06 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene is sourced from PubChem (CID 87786192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).