N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide

C7H11F3N2O2 — CID 164556299

IUPACN-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCCNC(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O2/c1-2-11-5(13)12-3-6(14,4-12)7(8,9)10/h14H,2-4H2,1H3,(H,11,13)
InChIKeyICUXQCDEUOJDFW-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.32
Rot. Bonds1

About N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide

N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide (PubChem CID 164556299) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide
PubChem CID164556299
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC NameN-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCCNC(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O2/c1-2-11-5(13)12-3-6(14,4-12)7(8,9)10/h14H,2-4H2,1H3,(H,11,13)
InChIKeyICUXQCDEUOJDFW-UHFFFAOYSA-N
XLogP0.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.32
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
3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
CID 164821528
3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide
CID 167135154
3-Hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide
CID 176292889
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-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 115608964
1-(2-Hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 115618516
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 N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide?
The IUPAC name of N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide (CID 164556299) is N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide is CCNC(=O)N1CC(O)(C(F)(F)F)C1.
What is the InChIKey of N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide?
The InChIKey is ICUXQCDEUOJDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c1-2-11-5(13)12-3-6(14,4-12)7(8,9)10/h14H,2-4H2,1H3,(H,11,13).
What are the key properties of N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide?
N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide has a molecular weight of 212.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 164556299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).