5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine

C8H11F6N — CID 103312111

IUPAC5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine
SMILESC=C(C)C(NC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6N/c1-4(2)5(15-3)6(7(9,10)11)8(12,13)14/h5-6,15H,1H2,2-3H3
InChIKeySHICRCNVGHKMCE-UHFFFAOYSA-N
MW235.17 g/mol
LogP2.89
Rot. Bonds3

About 5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine

5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine (PubChem CID 103312111) has the molecular formula C8H11F6N and a molecular weight of 235.17 g/mol. Its IUPAC name is 5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine
PubChem CID103312111
Molecular FormulaC8H11F6N
Molecular Weight235.17 g/mol
Exact Mass235.08
IUPAC Name5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine
SMILESC=C(C)C(NC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6N/c1-4(2)5(15-3)6(7(9,10)11)8(12,13)14/h5-6,15H,1H2,2-3H3
InChIKeySHICRCNVGHKMCE-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 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 ≤ 52.89
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,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine?
The IUPAC name of 5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine (CID 103312111) is 5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine.
What is the SMILES notation for 5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine?
The canonical SMILES for 5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine is C=C(C)C(NC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine?
The InChIKey is SHICRCNVGHKMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6N/c1-4(2)5(15-3)6(7(9,10)11)8(12,13)14/h5-6,15H,1H2,2-3H3.
What are the key properties of 5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine?
5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine has a molecular weight of 235.17 g/mol, XLogP of 2.89, 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,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine is sourced from PubChem (CID 103312111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).