2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C12H21F3N2O2 — CID 65116484

IUPAC2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCC(O)(CNCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-9-2-4-11(19,5-3-9)7-16-6-10(18)17-8-12(13,14)15/h9,16,19H,2-8H2,1H3,(H,17,18)
InChIKeySSIBXSFVZMFTHR-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.20
Rot. Bonds5

About 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 65116484) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID65116484
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCC(O)(CNCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-9-2-4-11(19,5-3-9)7-16-6-10(18)17-8-12(13,14)15/h9,16,19H,2-8H2,1H3,(H,17,18)
InChIKeySSIBXSFVZMFTHR-UHFFFAOYSA-N
XLogP1.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 65116484) is 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CC1CCC(O)(CNCC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SSIBXSFVZMFTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9-2-4-11(19,5-3-9)7-16-6-10(18)17-8-12(13,14)15/h9,16,19H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 65116484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).