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1-(Azetidin-3-yl)ethan-1-one; trifluoroacetic acid

HCID 86672986
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)C1CNC1.O=C(O)C(F)(F)F
InChIKey
PJMDMFFDGCWHJN-UHFFFAOYSA-N
Molecular formula
C7H10F3NO3
Average molar mass
213.15 g/mol

Names & identifiers

Preferred name
1-(Azetidin-3-yl)ethan-1-one; trifluoroacetic acid
IUPAC
1-(azetidin-3-yl)ethanone;2,2,2-trifluoroacetic acid

Names & synonyms

1309208-83-01-(azetidin-3-yl)ethan-1-one; trifluoroacetic acid1-Azetidin-3-yl-ethanone TFA1-(azetidin-3-yl)ethan-1-one trifluoroacetic acidMFCD282462741-(azetidin-3-yl)ethan-1-one, trifluoroacetic acid1-(azetidin-3-yl)ethanone;2,2,2-trifluoroacetic acidAKOS026742741PB471961-(azetidin-3-yl)ethJCC20883PS-15509
Show more names
SY1671331-(Azetidin-3-yl)ethan-1-one TFA Salt1-(Azetidin-3-yl)ethanone Trifluoroacetate1-(AZetidin-3-yl)ethan-1-one trifluoroacetate1-(azetidin-3-yl)ethanone trifluoroacetic acidE88209EN300-1961741-(azetidin-3-yl)ethan-1-one;trifluoroaceticacid

Database identifiers

PubChem CID
86672986

Properties

Computed structural properties

Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
170

Related reactions

6 records
New reaction record
HRID 83053 reaction equation
HRID 83053As productuspto-grants-2014_09
HRID 83054 reaction equation
HRID 83054As reactantuspto-grants-2014_09
HRID 634007 reaction equation
HRID 634007As productuspto-grants-2016_04
HRID 634008 reaction equation
HRID 634008As reactantuspto-grants-2016_04
HRID 2172108 reaction equation
HRID 2172108As productuspto-grants-2015_06
HRID 2172109 reaction equation
HRID 2172109As reactantuspto-grants-2015_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes