3-Fluorobutan-2-one

CAT: 0127-PC9588-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC9588-01Size:1 g

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CAS Number

814-79-9

Synonyms

3-Fluoro-2-oxobutane

MDL Number

MFCD01862088

Purity

97%

Smiles

CC(F)C(=O)C

Chemical Information

3-Fluoro-2-butanone

CAS Number	814-79-9
PubChem CID	2774453
IUPAC Name	3-fluorobutan-2-one
Molecular Formula	C4H7FO
Molecular Weight	90.10
XLogP	0.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	60

SMILES

CC(C(=O)C)F

InChI

InChI=1S/C4H7FO/c1-3(5)4(2)6/h3H,1-2H3

InChIKey

LJOQCXPELWJBRK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 814-79-9

CID: 2774453

Formula: C4H7FO

MW: 90.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	90.10
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	90.048093005
Monoisotopic Mass	90.048093005
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	60.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC103014-01	2-Fluorobutan-1-amine hydrochloride
PC100855-01	3-Fluorobutan-1-amine hydrochloride
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PC102872	4-Fluorobutan-1-amine hydrochloride
PC104140	3-Fluorobut-3-en-2-one
PC2405G	4,4-Dichloro-4-fluorobutan-1-ol
PC1006919-01	3,3-Difluoropyrrolidin-2-one
OR1072157-01	3,3-Dimethylpiperidin-2-one
OR964406-01	3,3-Dimethylindolin-2-one
OR75289-01	3,3-Dimethylpyrrolidin-2-one

Catalog	Name
sc-260979	3-Fluorobutan-2-one
DXC60447-01	1-Fluorobutan-2-amine hydrochloride
TRC-B438010-250MG	2-Fluorobutan-1-amine Hydrochloride
FWC79910-01	3-Fluorobutan-1-amine hydrochloride
HY-W049770-01	3-Fluorobutan-1-amine (hydrochloride)
GFD28710-01	(2S) -1-Fluorobutan-2-amine, hydrochloride
LLA37170-01	4-Fluorobutan-1-amine hydrochloride
AAA56404-01	2,2-Dimethylpentan-3-one
FD142413-01	3,3-Dibromopiperidin-2-one
BAA70914-01	3,3-dichloroazepan-2-one