5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene

C7H7F7 — CID 10878791

IUPAC5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene
SMILESC=CCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F7/c1-2-3-4-5(8,6(9,10)11)7(12,13)14/h2H,1,3-4H2
InChIKeyMLNNBROTDUQKSQ-UHFFFAOYSA-N
MW224.12 g/mol
LogP3.79
Rot. Bonds3

About 5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene

5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene (PubChem CID 10878791) has the molecular formula C7H7F7 and a molecular weight of 224.12 g/mol. Its IUPAC name is 5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene
PubChem CID10878791
Molecular FormulaC7H7F7
Molecular Weight224.12 g/mol
Exact Mass224.04
IUPAC Name5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene
SMILESC=CCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F7/c1-2-3-4-5(8,6(9,10)11)7(12,13)14/h2H,1,3-4H2
InChIKeyMLNNBROTDUQKSQ-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.12
LogP ≤ 53.79
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 5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene?
The IUPAC name of 5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene (CID 10878791) is 5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene is C=CCCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene?
The InChIKey is MLNNBROTDUQKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7/c1-2-3-4-5(8,6(9,10)11)7(12,13)14/h2H,1,3-4H2.
What are the key properties of 5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene?
5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene has a molecular weight of 224.12 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 10878791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).