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

C9H16F2N2O2 — CID 167135214

IUPACN-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CC(OC(F)F)C1
InChIInChI=1S/C9H16F2N2O2/c1-3-6(2)12-9(14)13-4-7(5-13)15-8(10)11/h6-8H,3-5H2,1-2H3,(H,12,14)/t6-/m1/s1
InChIKeySCWNGXKVVMVUEZ-ZCFIWIBFSA-N
MW222.23 g/mol
LogP1.42
Rot. Bonds4

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

N-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide (PubChem CID 167135214) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide
PubChem CID167135214
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC NameN-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CC(OC(F)F)C1
InChIInChI=1S/C9H16F2N2O2/c1-3-6(2)12-9(14)13-4-7(5-13)15-8(10)11/h6-8H,3-5H2,1-2H3,(H,12,14)/t6-/m1/s1
InChIKeySCWNGXKVVMVUEZ-ZCFIWIBFSA-N
XLogP1.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethoxy)-N-propan-2-ylazetidine-1-carboxamide
CID 167134983
N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide
CID 167135161
3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 167135172
N-[(2R)-butan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide
CID 167135200
2-ethyl-6-methyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide
CID 72018594
1-(1-Methoxypropan-2-yl)-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 86992988
(2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide
CID 96516466
(2R,6R)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide
CID 96516468
(2R,6R)-2-ethyl-6-methyl-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide
CID 99103865
1-(2-Methoxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 102697408
1-[2-(2,2-Difluoroethoxy)ethyl]-3-propan-2-ylurea
CID 103082289
1-(2-Methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea
CID 113226998

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide (CID 167135214) is N-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide is CC[C@@H](C)NC(=O)N1CC(OC(F)F)C1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide?
The InChIKey is SCWNGXKVVMVUEZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c1-3-6(2)12-9(14)13-4-7(5-13)15-8(10)11/h6-8H,3-5H2,1-2H3,(H,12,14)/t6-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide?
N-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide has a molecular weight of 222.23 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-(difluoromethoxy)azetidine-1-carboxamide is sourced from PubChem (CID 167135214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).