2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O — CID 60646712

IUPAC2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCCCC1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-8-4-2-3-5-9(8)15-6-10(17)16-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyHMBNHVFDZXUIHI-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.83
Rot. Bonds4

About 2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60646712) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60646712
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCCCC1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-8-4-2-3-5-9(8)15-6-10(17)16-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyHMBNHVFDZXUIHI-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60646712) is 2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC1CCCCC1NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HMBNHVFDZXUIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8-4-2-3-5-9(8)15-6-10(17)16-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 252.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60646712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).