3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide

C12H21F2NO3 — CID 103209202

IUPAC3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
SMILESCN(C(=O)CCOCC(F)F)C1CCCCC1O
InChIInChI=1S/C12H21F2NO3/c1-15(9-4-2-3-5-10(9)16)12(17)6-7-18-8-11(13)14/h9-11,16H,2-8H2,1H3
InChIKeyMWCOJNKVPNELKI-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.42
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide

3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide (PubChem CID 103209202) has the molecular formula C12H21F2NO3 and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
PubChem CID103209202
Molecular FormulaC12H21F2NO3
Molecular Weight265.30 g/mol
Exact Mass265.15
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
SMILESCN(C(=O)CCOCC(F)F)C1CCCCC1O
InChIInChI=1S/C12H21F2NO3/c1-15(9-4-2-3-5-10(9)16)12(17)6-7-18-8-11(13)14/h9-11,16H,2-8H2,1H3
InChIKeyMWCOJNKVPNELKI-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.42
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
N-(2-hydroxycyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 102634970
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
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 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide (CID 103209202) is 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide is CN(C(=O)CCOCC(F)F)C1CCCCC1O.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The InChIKey is MWCOJNKVPNELKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO3/c1-15(9-4-2-3-5-10(9)16)12(17)6-7-18-8-11(13)14/h9-11,16H,2-8H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide has a molecular weight of 265.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide is sourced from PubChem (CID 103209202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).