5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine

C7H9F6N — CID 103312090

IUPAC5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine
SMILESC=CC(NC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6N/c1-3-4(14-2)5(6(8,9)10)7(11,12)13/h3-5,14H,1H2,2H3
InChIKeyDISZFVIIAAEJRG-UHFFFAOYSA-N
MW221.14 g/mol
LogP2.50
Rot. Bonds3

About 5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine

5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine (PubChem CID 103312090) has the molecular formula C7H9F6N and a molecular weight of 221.14 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine
PubChem CID103312090
Molecular FormulaC7H9F6N
Molecular Weight221.14 g/mol
Exact Mass221.06
IUPAC Name5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine
SMILESC=CC(NC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6N/c1-3-4(14-2)5(6(8,9)10)7(11,12)13/h3-5,14H,1H2,2H3
InChIKeyDISZFVIIAAEJRG-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.50
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 5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine (CID 103312090) is 5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine is C=CC(NC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine?
The InChIKey is DISZFVIIAAEJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6N/c1-3-4(14-2)5(6(8,9)10)7(11,12)13/h3-5,14H,1H2,2H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine?
5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine has a molecular weight of 221.14 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine is sourced from PubChem (CID 103312090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).