1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene

C8H10F6 — CID 13027673

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene
SMILESCCCCC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6/c1-2-3-4-5-6(7(9,10)11)8(12,13)14/h5H,2-4H2,1H3
InChIKeyYNPQYPTZXADUNT-UHFFFAOYSA-N
MW220.16 g/mol
LogP4.23
Rot. Bonds3

About 1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene

1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene (PubChem CID 13027673) has the molecular formula C8H10F6 and a molecular weight of 220.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene
PubChem CID13027673
Molecular FormulaC8H10F6
Molecular Weight220.16 g/mol
Exact Mass220.07
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene
SMILESCCCCC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6/c1-2-3-4-5-6(7(9,10)11)8(12,13)14/h5H,2-4H2,1H3
InChIKeyYNPQYPTZXADUNT-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene (CID 13027673) is 1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene is CCCCC=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene?
The InChIKey is YNPQYPTZXADUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6/c1-2-3-4-5-6(7(9,10)11)8(12,13)14/h5H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene?
1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene has a molecular weight of 220.16 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(trifluoromethyl)hept-2-ene is sourced from PubChem (CID 13027673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).