3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide

C6H9F3N2O — CID 130723321

IUPAC3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
SMILESNC(=O)N1CC(CC(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)1-4-2-11(3-4)5(10)12/h4H,1-3H2,(H2,10,12)
InChIKeyFRKDWLRKBIIYNQ-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.95
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide

3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide (PubChem CID 130723321) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
PubChem CID130723321
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
SMILESNC(=O)N1CC(CC(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)1-4-2-11(3-4)5(10)12/h4H,1-3H2,(H2,10,12)
InChIKeyFRKDWLRKBIIYNQ-UHFFFAOYSA-N
XLogP0.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Difluoroazetidine-1-carboxamide
CID 123290716
3-Fluoro-3-methyl-1-azetidinecarboxamide
CID 131180846
2,2-Difluoroazetidine-1-carboxamide
CID 137352276
2,3-Difluoroazetidine-1-carboxamide
CID 137352277
2,3-Dimethyl-2-(trifluoromethyl)azetidine-1-carboxamide
CID 140736680
3,3-Difluoroazetidine-1-carboxamide;molecular hydrogen;propane
CID 144507525
3,3-Difluoroazetidine-1-carboxamide;ethane;molecular hydrogen
CID 145166691
3-(Trifluoromethyl)azetidine-1-carboxamide
CID 146609731
3-(Difluoromethyl)azetidine-1-carboxamide
CID 155279450
2,2-Difluoro-5-azaspiro[2.3]hexane-5-carboxamide
CID 166920454
3-(Fluoromethyl)azetidine-1-carboxamide
CID 167481965
1-(2-Methylpropyl)-1-(trifluoromethyl)urea
CID 174530878

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The IUPAC name of 3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide (CID 130723321) is 3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide is NC(=O)N1CC(CC(F)(F)F)C1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The InChIKey is FRKDWLRKBIIYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)1-4-2-11(3-4)5(10)12/h4H,1-3H2,(H2,10,12).
What are the key properties of 3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide has a molecular weight of 182.14 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)azetidine-1-carboxamide is sourced from PubChem (CID 130723321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).