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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Related Compounds

1-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide
CID 124589640
[3-(difluoromethoxy)azetidin-1-yl]-[1-[(dimethylamino)methyl]cyclopropyl]methanone
CID 167764957
4-[3-(difluoromethoxy)azetidine-1-carbonyl]oxane-4-carbonitrile
CID 154735285
1-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 120750065
(3aS,6aR)-2-[1-(methylcarbamoyl)cyclopropanecarbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683237
5-[3-(difluoromethoxy)azetidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 154807639
[3-(difluoromethoxy)azetidin-1-yl]-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropyl]methanone
CID 154779114
1-[(3R)-3-(difluoromethoxy)pyrrolidin-1-yl]prop-2-en-1-one
CID 166406902
methyl 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carboxylate
CID 177327179
(1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone
CID 118473852
1-[4-[1-(3-cyclopropylprop-2-ynoyl)azepan-4-yl]piperidine-1-carbonyl]-N-methylcyclopropane-1-carboxamide
CID 138049102
1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 108970408

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).