3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide

C10H18F2N2O2 — CID 167135172

IUPAC3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC(OC(F)F)C1
InChIInChI=1S/C10H18F2N2O2/c1-6(2)7(3)13-10(15)14-4-8(5-14)16-9(11)12/h6-9H,4-5H2,1-3H3,(H,13,15)/t7-/m1/s1
InChIKeyMINWJGNHHNRDDB-SSDOTTSWSA-N
MW236.26 g/mol
LogP1.66
Rot. Bonds4

About 3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide

3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide (PubChem CID 167135172) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
PubChem CID167135172
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC(OC(F)F)C1
InChIInChI=1S/C10H18F2N2O2/c1-6(2)7(3)13-10(15)14-4-8(5-14)16-9(11)12/h6-9H,4-5H2,1-3H3,(H,13,15)/t7-/m1/s1
InChIKeyMINWJGNHHNRDDB-SSDOTTSWSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide (CID 167135172) is 3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide is CC(C)[C@@H](C)NC(=O)N1CC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
The InChIKey is MINWJGNHHNRDDB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-6(2)7(3)13-10(15)14-4-8(5-14)16-9(11)12/h6-9H,4-5H2,1-3H3,(H,13,15)/t7-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide is sourced from PubChem (CID 167135172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).