3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide

C10H19F2NO2 — CID 166011581

IUPAC3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide
SMILESCCCC(C)(CC(=O)N(C)OC)C(F)F
InChIInChI=1S/C10H19F2NO2/c1-5-6-10(2,9(11)12)7-8(14)13(3)15-4/h9H,5-7H2,1-4H3
InChIKeyVDHOPGQFOGIJJF-UHFFFAOYSA-N
MW223.26 g/mol
LogP2.47
Rot. Bonds6

About 3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide

3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide (PubChem CID 166011581) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide
PubChem CID166011581
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide
SMILESCCCC(C)(CC(=O)N(C)OC)C(F)F
InChIInChI=1S/C10H19F2NO2/c1-5-6-10(2,9(11)12)7-8(14)13(3)15-4/h9H,5-7H2,1-4H3
InChIKeyVDHOPGQFOGIJJF-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide?
The IUPAC name of 3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide (CID 166011581) is 3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide.
What is the SMILES notation for 3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide?
The canonical SMILES for 3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide is CCCC(C)(CC(=O)N(C)OC)C(F)F.
What is the InChIKey of 3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide?
The InChIKey is VDHOPGQFOGIJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-5-6-10(2,9(11)12)7-8(14)13(3)15-4/h9H,5-7H2,1-4H3.
What are the key properties of 3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide?
3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide has a molecular weight of 223.26 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-methoxy-N,3-dimethylhexanamide is sourced from PubChem (CID 166011581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).