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

C12H21F3N2O — CID 55013625

IUPAC2-[(2-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCCCC1CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-9-4-2-3-5-10(9)6-16-7-11(18)17-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyKXZHBMNDJXDEKF-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.08
Rot. Bonds5

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

2-[(2-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55013625) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55013625
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-[(2-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCCCC1CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-9-4-2-3-5-10(9)6-16-7-11(18)17-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyKXZHBMNDJXDEKF-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 55013625) is 2-[(2-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CC1CCCCC1CNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KXZHBMNDJXDEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9-4-2-3-5-10(9)6-16-7-11(18)17-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-[(2-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 266.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55013625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).