3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide

C7H12F2N2O2 — CID 130892153

IUPAC3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(OC(F)F)C1
InChIInChI=1S/C7H12F2N2O2/c1-10-7(12)11-3-2-5(4-11)13-6(8)9/h5-6H,2-4H2,1H3,(H,10,12)
InChIKeyROFNYVOZFIZVOW-UHFFFAOYSA-N
MW194.18 g/mol
LogP0.64
Rot. Bonds2

About 3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide

3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide (PubChem CID 130892153) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide
PubChem CID130892153
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(OC(F)F)C1
InChIInChI=1S/C7H12F2N2O2/c1-10-7(12)11-3-2-5(4-11)13-6(8)9/h5-6H,2-4H2,1H3,(H,10,12)
InChIKeyROFNYVOZFIZVOW-UHFFFAOYSA-N
XLogP0.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide (CID 130892153) is 3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide is CNC(=O)N1CCC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide?
The InChIKey is ROFNYVOZFIZVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c1-10-7(12)11-3-2-5(4-11)13-6(8)9/h5-6H,2-4H2,1H3,(H,10,12).
What are the key properties of 3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide?
3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide has a molecular weight of 194.18 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 130892153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).