7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine

C8H11F6N — CID 121450914

IUPAC7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine
SMILESCC(N)CCC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6N/c1-5(15)3-2-4-6(7(9,10)11)8(12,13)14/h4-5H,2-3,15H2,1H3
InChIKeyHJARFQNAOJJAEJ-UHFFFAOYSA-N
MW235.17 g/mol
LogP3.16
Rot. Bonds3

About 7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine

7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine (PubChem CID 121450914) has the molecular formula C8H11F6N and a molecular weight of 235.17 g/mol. Its IUPAC name is 7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine
PubChem CID121450914
Molecular FormulaC8H11F6N
Molecular Weight235.17 g/mol
Exact Mass235.08
IUPAC Name7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine
SMILESCC(N)CCC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6N/c1-5(15)3-2-4-6(7(9,10)11)8(12,13)14/h4-5H,2-3,15H2,1H3
InChIKeyHJARFQNAOJJAEJ-UHFFFAOYSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine?
The IUPAC name of 7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine (CID 121450914) is 7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine.
What is the SMILES notation for 7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine?
The canonical SMILES for 7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine is CC(N)CCC=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine?
The InChIKey is HJARFQNAOJJAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6N/c1-5(15)3-2-4-6(7(9,10)11)8(12,13)14/h4-5H,2-3,15H2,1H3.
What are the key properties of 7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine?
7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine has a molecular weight of 235.17 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine is sourced from PubChem (CID 121450914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).