(1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide

C6H9F2NO2 — CID 124563915

IUPAC(1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1CC1(F)F
InChIInChI=1S/C6H9F2NO2/c1-9(11-2)5(10)4-3-6(4,7)8/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyFYLMKTMZAFPDQJ-BYPYZUCNSA-N
MW165.14 g/mol
LogP0.66
Rot. Bonds2

About (1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide

(1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide (PubChem CID 124563915) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is (1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide
PubChem CID124563915
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name(1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1CC1(F)F
InChIInChI=1S/C6H9F2NO2/c1-9(11-2)5(10)4-3-6(4,7)8/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyFYLMKTMZAFPDQJ-BYPYZUCNSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide (CID 124563915) is (1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide is CON(C)C(=O)[C@@H]1CC1(F)F.
What is the InChIKey of (1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide?
The InChIKey is FYLMKTMZAFPDQJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-9(11-2)5(10)4-3-6(4,7)8/h4H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide?
(1S)-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 (1S)-2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 124563915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).