N-(azetidin-3-yl)-2,2,2-trifluoroacetamide

C5H7F3N2O — CID 13401971

IUPACN-(azetidin-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CNC1)C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)4(11)10-3-1-9-2-3/h3,9H,1-2H2,(H,10,11)
InChIKeyBIRMYAUDHMGEME-UHFFFAOYSA-N
MW168.12 g/mol
LogP-0.36
Rot. Bonds1

About N-(azetidin-3-yl)-2,2,2-trifluoroacetamide

N-(azetidin-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 13401971) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,2,2-trifluoroacetamide
PubChem CID13401971
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC NameN-(azetidin-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CNC1)C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)4(11)10-3-1-9-2-3/h3,9H,1-2H2,(H,10,11)
InChIKeyBIRMYAUDHMGEME-UHFFFAOYSA-N
XLogP-0.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2,2,2-trifluoroacetamide
CID 229755
N-(azetidin-3-yl)-2,2,2-trifluoroacetamide hydrochloride
CID 19423639
N-(azetidin-3-yl)acetamide
CID 13401968
N-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide
CID 10104128
N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide
CID 10442325
N-(2-aminopropyl)-2,2,2-trifluoroacetamide
CID 12655959
2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide
CID 14852470
N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride
CID 19910546
3-[N-(methyl)trifluoroacetamido]-2-methylazetidine hydrochloride
CID 20087916
2,2,2-trifluoro-N-(2-methylazetidin-3-yl)acetamide
CID 21112014
N-(1,2-dimethylazetidin-3-yl)-2,2,2-trifluoroacetamide
CID 21651015
(2S,3R)-2,2,2-trifluoro-N-(2-methyl-azetidin-3-yl)-acetamide
CID 58887416

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(azetidin-3-yl)-2,2,2-trifluoroacetamide (CID 13401971) is N-(azetidin-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(azetidin-3-yl)-2,2,2-trifluoroacetamide is O=C(NC1CNC1)C(F)(F)F.
What is the InChIKey of N-(azetidin-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is BIRMYAUDHMGEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O/c6-5(7,8)4(11)10-3-1-9-2-3/h3,9H,1-2H2,(H,10,11).
What are the key properties of N-(azetidin-3-yl)-2,2,2-trifluoroacetamide?
N-(azetidin-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 168.12 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 13401971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).