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

C9H16F2N2O — CID 167135164

IUPACN-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CC(C(F)F)C1
InChIInChI=1S/C9H16F2N2O/c1-3-6(2)12-9(14)13-4-7(5-13)8(10)11/h6-8H,3-5H2,1-2H3,(H,12,14)/t6-/m1/s1
InChIKeyILPLUMPQMOVBDC-ZCFIWIBFSA-N
MW206.24 g/mol
LogP1.69
Rot. Bonds3

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

N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide (PubChem CID 167135164) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide
PubChem CID167135164
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC NameN-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CC(C(F)F)C1
InChIInChI=1S/C9H16F2N2O/c1-3-6(2)12-9(14)13-4-7(5-13)8(10)11/h6-8H,3-5H2,1-2H3,(H,12,14)/t6-/m1/s1
InChIKeyILPLUMPQMOVBDC-ZCFIWIBFSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide (CID 167135164) is N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide is CC[C@@H](C)NC(=O)N1CC(C(F)F)C1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide?
The InChIKey is ILPLUMPQMOVBDC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-3-6(2)12-9(14)13-4-7(5-13)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-(difluoromethyl)azetidine-1-carboxamide?
N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 167135164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).