N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

C12H20F3NO3 — CID 102634970

IUPACN-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(C(=O)CCOCC(F)(F)F)C1CCCCC1O
InChIInChI=1S/C12H20F3NO3/c1-16(9-4-2-3-5-10(9)17)11(18)6-7-19-8-12(13,14)15/h9-10,17H,2-8H2,1H3
InChIKeyUSMQOJJLPHKJPH-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.72
Rot. Bonds5

About N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 102634970) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID102634970
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(C(=O)CCOCC(F)(F)F)C1CCCCC1O
InChIInChI=1S/C12H20F3NO3/c1-16(9-4-2-3-5-10(9)17)11(18)6-7-19-8-12(13,14)15/h9-10,17H,2-8H2,1H3
InChIKeyUSMQOJJLPHKJPH-UHFFFAOYSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 21846889
2,2,2-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylacetamide
CID 53643997
1-[2-(Hydroxymethyl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 43421045
N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 62366648
3,3,3-trifluoro-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 102634587
4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide
CID 102635160
3-(2,2-Difluoroethoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 103209013
N-cyclohexyl-3-(2,2-difluoroethoxy)-N-(2-hydroxyethyl)propanamide
CID 103209037
3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)propanamide
CID 103209045
3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 103209202
1-[2-(2-Hydroxypropyl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103209226
3-(2,2-Difluoroethoxy)-1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 103209227

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 102634970) is N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is CN(C(=O)CCOCC(F)(F)F)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is USMQOJJLPHKJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-16(9-4-2-3-5-10(9)17)11(18)6-7-19-8-12(13,14)15/h9-10,17H,2-8H2,1H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 283.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 102634970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).