2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide

C9H14F3NO — CID 10679926

IUPAC2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide
SMILESCCC/C=C/CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-3-4-5-6-7-13(2)8(14)9(10,11)12/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKeyDBBRAZRIDWBBGH-AATRIKPKSA-N
MW209.21 g/mol
LogP2.36
Rot. Bonds4

About 2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide

2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide (PubChem CID 10679926) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide
PubChem CID10679926
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide
SMILESCCC/C=C/CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-3-4-5-6-7-13(2)8(14)9(10,11)12/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKeyDBBRAZRIDWBBGH-AATRIKPKSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.36
H-Bond Donors ≤ 50
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 2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide (CID 10679926) is 2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide is CCC/C=C/CN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide?
The InChIKey is DBBRAZRIDWBBGH-AATRIKPKSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-3-4-5-6-7-13(2)8(14)9(10,11)12/h5-6H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of 2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide?
2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide has a molecular weight of 209.21 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(E)-hex-2-enyl]-N-methylacetamide is sourced from PubChem (CID 10679926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).