2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C13H21F3N2O — CID 86799397

IUPAC2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1=CCCC(C)C1CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-9-4-3-5-10(2)11(9)6-17-7-12(19)18-8-13(14,15)16/h4,10-11,17H,3,5-8H2,1-2H3,(H,18,19)
InChIKeyJKWSOCWHSYPQOV-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.25
Rot. Bonds5

About 2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 86799397) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID86799397
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1=CCCC(C)C1CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-9-4-3-5-10(2)11(9)6-17-7-12(19)18-8-13(14,15)16/h4,10-11,17H,3,5-8H2,1-2H3,(H,18,19)
InChIKeyJKWSOCWHSYPQOV-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 86799397) is 2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CC1=CCCC(C)C1CNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JKWSOCWHSYPQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-9-4-3-5-10(2)11(9)6-17-7-12(19)18-8-13(14,15)16/h4,10-11,17H,3,5-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 278.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylcyclohex-2-en-1-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 86799397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).