2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide

C6H9F2NO2 — CID 53416131

IUPAC2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1CC1(F)F
InChIInChI=1S/C6H9F2NO2/c1-9(11-2)5(10)4-3-6(4,7)8/h4H,3H2,1-2H3
InChIKeyFYLMKTMZAFPDQJ-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.66
Rot. Bonds2

About 2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide

2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide (PubChem CID 53416131) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide
PubChem CID53416131
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1CC1(F)F
InChIInChI=1S/C6H9F2NO2/c1-9(11-2)5(10)4-3-6(4,7)8/h4H,3H2,1-2H3
InChIKeyFYLMKTMZAFPDQJ-UHFFFAOYSA-N
XLogP0.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.66
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-methylcyclopropanecarboxamide
CID 15643267
N-methoxy-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57785368
2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
rel-(1R,2R)-N-Methoxy-N-methyl-2-(trifluoromethyl)cyclopropanecarboxamide
CID 73977786
N-Methyl-N-methoxy-bistrifluoromethylacetamide
CID 548349
4,4,4-trifluoro-N-methoxy-N-methylbutanamide
CID 22507277
3,3,3-Trifluoro-N-methoxy-N-methylpropanamide
CID 53403832
3,3,3-Trifluoro-N-methoxy-N,2,2-trimethylpropanamide
CID 86650577
1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 89165040
2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide
CID 90125054
trans-N-Methoxy-N-methyl-2-(trifluoromethyl)cyclopropanecarboxamide
CID 91658732
Cis-2-fluoro-N-methoxy-N-methylcyclopropanecarboxamide
CID 91884935

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide (CID 53416131) is 2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide is CON(C)C(=O)C1CC1(F)F.
What is the InChIKey of 2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide?
The InChIKey is FYLMKTMZAFPDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-9(11-2)5(10)4-3-6(4,7)8/h4H,3H2,1-2H3.
What are the key properties of 2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide?
2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide has a molecular weight of 165.14 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 53416131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).