(E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one

C10H16F3NO — CID 162375551

IUPAC(E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one
SMILESCC(C)C(=O)/C=C/CN(C)CC(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-8(2)9(15)5-4-6-14(3)7-10(11,12)13/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKeyZCGPIZGEGVXFML-SNAWJCMRSA-N
MW223.24 g/mol
LogP2.26
Rot. Bonds5

About (E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one

(E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one (PubChem CID 162375551) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is (E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one.

Molecular Properties

Compound Name(E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one
PubChem CID162375551
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name(E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one
SMILESCC(C)C(=O)/C=C/CN(C)CC(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-8(2)9(15)5-4-6-14(3)7-10(11,12)13/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKeyZCGPIZGEGVXFML-SNAWJCMRSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one?
The IUPAC name of (E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one (CID 162375551) is (E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one.
What is the SMILES notation for (E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one?
The canonical SMILES for (E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one is CC(C)C(=O)/C=C/CN(C)CC(F)(F)F.
What is the InChIKey of (E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one?
The InChIKey is ZCGPIZGEGVXFML-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-8(2)9(15)5-4-6-14(3)7-10(11,12)13/h4-5,8H,6-7H2,1-3H3/b5-4+.
What are the key properties of (E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one?
(E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one has a molecular weight of 223.24 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hex-4-en-3-one is sourced from PubChem (CID 162375551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).