6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine

C11H18F3NO — CID 91079265

IUPAC6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine
SMILESCON(C)C=C(C=CCC(F)(F)F)C(C)C
InChIInChI=1S/C11H18F3NO/c1-9(2)10(8-15(3)16-4)6-5-7-11(12,13)14/h5-6,8-9H,7H2,1-4H3
InChIKeyAAWAUJOUXPKWJD-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.53
Rot. Bonds5

About 6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine

6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine (PubChem CID 91079265) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine
PubChem CID91079265
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine
SMILESCON(C)C=C(C=CCC(F)(F)F)C(C)C
InChIInChI=1S/C11H18F3NO/c1-9(2)10(8-15(3)16-4)6-5-7-11(12,13)14/h5-6,8-9H,7H2,1-4H3
InChIKeyAAWAUJOUXPKWJD-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine?
The IUPAC name of 6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine (CID 91079265) is 6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine?
The canonical SMILES for 6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine is CON(C)C=C(C=CCC(F)(F)F)C(C)C.
What is the InChIKey of 6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine?
The InChIKey is AAWAUJOUXPKWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-9(2)10(8-15(3)16-4)6-5-7-11(12,13)14/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine?
6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine has a molecular weight of 237.26 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-methoxy-N-methyl-2-propan-2-ylhexa-1,3-dien-1-amine is sourced from PubChem (CID 91079265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).