3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide

C8H13F3N2O2 — CID 167135154

IUPAC3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c1-5(2)12-6(14)13-3-7(15,4-13)8(9,10)11/h5,15H,3-4H2,1-2H3,(H,12,14)
InChIKeyQLESTIKLLTUVCX-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.71
Rot. Bonds1

About 3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide

3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide (PubChem CID 167135154) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide
PubChem CID167135154
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c1-5(2)12-6(14)13-3-7(15,4-13)8(9,10)11/h5,15H,3-4H2,1-2H3,(H,12,14)
InChIKeyQLESTIKLLTUVCX-UHFFFAOYSA-N
XLogP0.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide
CID 164556056
N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide
CID 164556299
3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
CID 164821528
1-(3-Hydroxy-3-methylbutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 53542417
1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea
CID 95145635
1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea
CID 95145636
1-[3-(Dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2,2,2-trifluoroethyl)urea
CID 103839179
1-(2-Hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 111519649
1-Ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 111778180
3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 116013212
3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 116013213
3-hydroxy-3-propan-2-yl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 116013215

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide (CID 167135154) is 3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide is CC(C)NC(=O)N1CC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide?
The InChIKey is QLESTIKLLTUVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-5(2)12-6(14)13-3-7(15,4-13)8(9,10)11/h5,15H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide?
3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 167135154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).