1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide

C10H14F2N2O3 — CID 154805354

IUPAC1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(C(=O)N2CC(OC(F)F)C2)CC1
InChIInChI=1S/C10H14F2N2O3/c1-13-7(15)10(2-3-10)8(16)14-4-6(5-14)17-9(11)12/h6,9H,2-5H2,1H3,(H,13,15)
InChIKeyBVPARFAMYQYFHU-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.04
Rot. Bonds4

About 1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide

1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 154805354) has the molecular formula C10H14F2N2O3 and a molecular weight of 248.23 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide
PubChem CID154805354
Molecular FormulaC10H14F2N2O3
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(C(=O)N2CC(OC(F)F)C2)CC1
InChIInChI=1S/C10H14F2N2O3/c1-13-7(15)10(2-3-10)8(16)14-4-6(5-14)17-9(11)12/h6,9H,2-5H2,1H3,(H,13,15)
InChIKeyBVPARFAMYQYFHU-UHFFFAOYSA-N
XLogP-0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide (CID 154805354) is 1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide is CNC(=O)C1(C(=O)N2CC(OC(F)F)C2)CC1.
What is the InChIKey of 1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is BVPARFAMYQYFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3/c1-13-7(15)10(2-3-10)8(16)14-4-6(5-14)17-9(11)12/h6,9H,2-5H2,1H3,(H,13,15).
What are the key properties of 1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide?
1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 248.23 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)azetidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 154805354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).