3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide

C8H10F3N3O — CID 126772718

IUPAC3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
SMILESCC1(C#N)CN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H10F3N3O/c1-7(2-12)4-14(5-7)6(15)13-3-8(9,10)11/h3-5H2,1H3,(H,13,15)
InChIKeyTYXZSONCDLZVHA-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.10
Rot. Bonds1

About 3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide

3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide (PubChem CID 126772718) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
PubChem CID126772718
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
SMILESCC1(C#N)CN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H10F3N3O/c1-7(2-12)4-14(5-7)6(15)13-3-8(9,10)11/h3-5H2,1H3,(H,13,15)
InChIKeyTYXZSONCDLZVHA-UHFFFAOYSA-N
XLogP1.10
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyano-2,2-dimethylpropyl)-3-fluoroazetidine-1-carboxamide
CID 132354216
3,3-difluoro-N-methylazetidine-1-carboxamide
CID 118395187
N-ethyl-3,3-difluoroazetidine-1-carboxamide
CID 122269483
3,3-difluoro-N-propylazetidine-1-carboxamide
CID 122269486
3,3-difluoro-N-propylazetidine-1-carboxamide;ethane
CID 165138936
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide
CID 165139077
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen
CID 165139144
N-methyl-3-(trifluoromethyl)azetidine-1-carboxamide
CID 175983808
1-(2-Cyano-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 104046688
1-(2-Cyanopropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115583994
1-(2-Cyanoethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115592920
1-(2-Cyanoethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea
CID 115592921

Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The IUPAC name of 3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide (CID 126772718) is 3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide is CC1(C#N)CN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The InChIKey is TYXZSONCDLZVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-7(2-12)4-14(5-7)6(15)13-3-8(9,10)11/h3-5H2,1H3,(H,13,15).
What are the key properties of 3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide has a molecular weight of 221.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide is sourced from PubChem (CID 126772718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).