(3E)-4-Ethoxy-1,1-difluorobut-3-en-2-one - CAS 285135-89-9

Name: (3E)-4-Ethoxy-1,1-difluorobut-3-en-2-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB050740
Product Name:	(3E)-4-Ethoxy-1,1-difluorobut-3-en-2-one
CAS:	285135-89-9
Synonyms:	3-Buten-2-one, 4-ethoxy-1,1-difluoro-, (3E)-; (E)-1,1-Difluoro-4-ethoxy-3-butene-2-one; (3E)-4-Ethoxy-1,1-difluoro-3-buten-2-one; Acetic acid, 2,2-difluoro-, (1E)-2-ethoxyethenyl ester

Technical Data

Computed Properties

Related CAS:	375856-23-8 (racemate)
IUPAC Name:	(E)-4-ethoxy-1,1-difluorobut-3-en-2-one
Molecular Weight:	150.12
Molecular Formula:	C6H8F2O2
Canonical SMILES:	CCOC=CC(=O)C(F)F
InChI:	InChI=1S/C6H8F2O2/c1-2-10-4-3-5(9)6(7)8/h3-4,6H,2H2,1H3/b4-3+
InChI Key:	KGQQKBSALJNKEH-ONEGZZNKSA-N
Boiling Point:	147.1±40.0°C (Predicted)
Purity:	≥95%
Density:	1.104±0.06 g/cm3 (Predicted)

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Related Functional Groups

Alkenes

[64437-48-5]C16H32O
(Z)-10-Hexadecenol
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[78-70-6]C10H18O
Linalool
[116-04-1]C15H24
β-Humulene
[99828-63-4]C12H23Br
12-Bromododecene
[6213-90-7]C4H5ClO2
(2Z)-3-Chloro-2-butenoic acid

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[452-76-6]C7H6F2
2,4-Difluorotoluene

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	150.04923582
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.04923582
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4