6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide

C11H17F3N2O — CID 143356426

IUPAC6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide
SMILESC=CCNC(=O)C(=C)C(CCC(F)(F)F)NC
InChIInChI=1S/C11H17F3N2O/c1-4-7-16-10(17)8(2)9(15-3)5-6-11(12,13)14/h4,9,15H,1-2,5-7H2,3H3,(H,16,17)
InChIKeyZVJHEDORKJCNEF-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.78
Rot. Bonds7

About 6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide

6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide (PubChem CID 143356426) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide.

Molecular Properties

Compound Name6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide
PubChem CID143356426
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide
SMILESC=CCNC(=O)C(=C)C(CCC(F)(F)F)NC
InChIInChI=1S/C11H17F3N2O/c1-4-7-16-10(17)8(2)9(15-3)5-6-11(12,13)14/h4,9,15H,1-2,5-7H2,3H3,(H,16,17)
InChIKeyZVJHEDORKJCNEF-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide?
The IUPAC name of 6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide (CID 143356426) is 6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide.
What is the SMILES notation for 6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide?
The canonical SMILES for 6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide is C=CCNC(=O)C(=C)C(CCC(F)(F)F)NC.
What is the InChIKey of 6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide?
The InChIKey is ZVJHEDORKJCNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-4-7-16-10(17)8(2)9(15-3)5-6-11(12,13)14/h4,9,15H,1-2,5-7H2,3H3,(H,16,17).
What are the key properties of 6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide?
6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide has a molecular weight of 250.26 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-3-(methylamino)-2-methylidene-N-prop-2-enylhexanamide is sourced from PubChem (CID 143356426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).