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

C5H9F2NO2 — CID 175029058

IUPAC2,3-difluoro-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(F)CF
InChIInChI=1S/C5H9F2NO2/c1-8(10-2)5(9)4(7)3-6/h4H,3H2,1-2H3
InChIKeyOPKVRLFBVQPIGD-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.31
Rot. Bonds3

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

2,3-difluoro-N-methoxy-N-methylpropanamide (PubChem CID 175029058) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is 2,3-difluoro-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name2,3-difluoro-N-methoxy-N-methylpropanamide
PubChem CID175029058
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name2,3-difluoro-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(F)CF
InChIInChI=1S/C5H9F2NO2/c1-8(10-2)5(9)4(7)3-6/h4H,3H2,1-2H3
InChIKeyOPKVRLFBVQPIGD-UHFFFAOYSA-N
XLogP0.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.31
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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Related Compounds

N-Methoxy-N-methylpropionamide
CID 11344007
N-Methoxy-N-methylbutyramide
CID 13704543
2,2-Difluoro-N-methoxy-N-methylacetamide
CID 19023731
2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
Propanamide, 2,3,3,3-tetrafluoro-N-methoxy-N-methyl-
CID 11159785
2-Fluoro-N-methoxy-N-methylacetamide
CID 11815852
N-Methoxy-N-methylpivalamide
CID 11446410
N-methylpropionohydroxamic acid
CID 14795102
2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide
CID 76764512
(2R)-2-fluoro-N-methoxy-N-methylpropanamide
CID 10909620
N-Methoxy-N,2-dimethylpropanamide
CID 10866371
N-Methyl-N-methoxy-bistrifluoromethylacetamide
CID 548349

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-methoxy-N-methylpropanamide?
The IUPAC name of 2,3-difluoro-N-methoxy-N-methylpropanamide (CID 175029058) is 2,3-difluoro-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 2,3-difluoro-N-methoxy-N-methylpropanamide?
The canonical SMILES for 2,3-difluoro-N-methoxy-N-methylpropanamide is CON(C)C(=O)C(F)CF.
What is the InChIKey of 2,3-difluoro-N-methoxy-N-methylpropanamide?
The InChIKey is OPKVRLFBVQPIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-8(10-2)5(9)4(7)3-6/h4H,3H2,1-2H3.
What are the key properties of 2,3-difluoro-N-methoxy-N-methylpropanamide?
2,3-difluoro-N-methoxy-N-methylpropanamide has a molecular weight of 153.13 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 175029058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).