2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide

C6H9F3N2O — CID 162581118

IUPAC2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide
SMILESC[C@@H]1NCC1NC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c1-3-4(2-10-3)11-5(12)6(7,8)9/h3-4,10H,2H2,1H3,(H,11,12)/t3-,4?/m0/s1
InChIKeyLOHMOYDNSULEAJ-WUCPZUCCSA-N
MW182.14 g/mol
LogP0.03
Rot. Bonds1

About 2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide

2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide (PubChem CID 162581118) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide
PubChem CID162581118
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide
SMILESC[C@@H]1NCC1NC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c1-3-4(2-10-3)11-5(12)6(7,8)9/h3-4,10H,2H2,1H3,(H,11,12)/t3-,4?/m0/s1
InChIKeyLOHMOYDNSULEAJ-WUCPZUCCSA-N
XLogP0.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
N-(azetidin-3-yl)-2,2,2-trifluoroacetamide hydrochloride
CID 19423639
2-amino-N-(2,2,2-trifluoroethyl)propanamide hydrochloride
CID 45791817
N-(azetidin-3-yl)-N-methylpropanamide
CID 66186833
N-(azetidin-3-yl)acetamide
CID 13401968
N-(azetidin-3-yl)propanamide
CID 66186982
1,2-Diaminoethane, N-trifluoroacetyl-2,2-dimethyl-
CID 546891
N-[(azetidin-2-yl)methyl]acetamide dihydrochloride
CID 165673141
2,2,2-trifluoro-N-[2-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 3089632
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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide (CID 162581118) is 2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide is C[C@@H]1NCC1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide?
The InChIKey is LOHMOYDNSULEAJ-WUCPZUCCSA-N. The full InChI is InChI=1S/C6H9F3N2O/c1-3-4(2-10-3)11-5(12)6(7,8)9/h3-4,10H,2H2,1H3,(H,11,12)/t3-,4?/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide?
2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide has a molecular weight of 182.14 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide is sourced from PubChem (CID 162581118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).