(Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene

C7HF13 — CID 23262930

IUPAC(Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene
SMILESF/C(=C\C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF13/c8-2(4(10,11)7(18,19)20)1-3(9,5(12,13)14)6(15,16)17/h1H/b2-1-
InChIKeyQXFFGEDJBKQKCL-UPHRSURJSA-N
MW332.06 g/mol
LogP4.87
Rot. Bonds2

About (Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene

(Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene (PubChem CID 23262930) has the molecular formula C7HF13 and a molecular weight of 332.06 g/mol. Its IUPAC name is (Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene.

Molecular Properties

Compound Name(Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene
PubChem CID23262930
Molecular FormulaC7HF13
Molecular Weight332.06 g/mol
Exact Mass331.99
IUPAC Name(Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene
SMILESF/C(=C\C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF13/c8-2(4(10,11)7(18,19)20)1-3(9,5(12,13)14)6(15,16)17/h1H/b2-1-
InChIKeyQXFFGEDJBKQKCL-UPHRSURJSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 (Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene?
The IUPAC name of (Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene (CID 23262930) is (Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene.
What is the SMILES notation for (Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene?
The canonical SMILES for (Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene is F/C(=C\C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene?
The InChIKey is QXFFGEDJBKQKCL-UPHRSURJSA-N. The full InChI is InChI=1S/C7HF13/c8-2(4(10,11)7(18,19)20)1-3(9,5(12,13)14)6(15,16)17/h1H/b2-1-.
What are the key properties of (Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene?
(Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene has a molecular weight of 332.06 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,2,2,3,5,6,6,6-decafluoro-5-(trifluoromethyl)hex-3-ene is sourced from PubChem (CID 23262930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).