3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide

C11H19F2NO3 — CID 10956003

IUPAC3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(F)(F)C(O)C1CCCCC1
InChIInChI=1S/C11H19F2NO3/c1-14(17-2)10(16)11(12,13)9(15)8-6-4-3-5-7-8/h8-9,15H,3-7H2,1-2H3
InChIKeyWEQUBYOXAUFYKK-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.58
Rot. Bonds4

About 3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide

3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide (PubChem CID 10956003) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide
PubChem CID10956003
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(F)(F)C(O)C1CCCCC1
InChIInChI=1S/C11H19F2NO3/c1-14(17-2)10(16)11(12,13)9(15)8-6-4-3-5-7-8/h8-9,15H,3-7H2,1-2H3
InChIKeyWEQUBYOXAUFYKK-UHFFFAOYSA-N
XLogP1.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide?
The IUPAC name of 3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide (CID 10956003) is 3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide?
The canonical SMILES for 3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide is CON(C)C(=O)C(F)(F)C(O)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide?
The InChIKey is WEQUBYOXAUFYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-14(17-2)10(16)11(12,13)9(15)8-6-4-3-5-7-8/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide?
3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide has a molecular weight of 251.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2,2-difluoro-3-hydroxy-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 10956003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).