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

C9H15F3N2O2 — CID 167135200

IUPACN-[(2R)-butan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CC(OC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-3-6(2)13-8(15)14-4-7(5-14)16-9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)/t6-/m1/s1
InChIKeyBFGSHQDWOJRYLX-ZCFIWIBFSA-N
MW240.22 g/mol
LogP1.72
Rot. Bonds3

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

N-[(2R)-butan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide (PubChem CID 167135200) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide
PubChem CID167135200
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC NameN-[(2R)-butan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CC(OC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-3-6(2)13-8(15)14-4-7(5-14)16-9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)/t6-/m1/s1
InChIKeyBFGSHQDWOJRYLX-ZCFIWIBFSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide (CID 167135200) is N-[(2R)-butan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide is CC[C@@H](C)NC(=O)N1CC(OC(F)(F)F)C1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide?
The InChIKey is BFGSHQDWOJRYLX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-3-6(2)13-8(15)14-4-7(5-14)16-9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)/t6-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide?
N-[(2R)-butan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 1.72, 3 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-(trifluoromethoxy)azetidine-1-carboxamide is sourced from PubChem (CID 167135200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).