(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

[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[632-51-9]C26H20
1,1,2,2-Tetraphenylethylene
[97403-83-3]C7H10N2OS
3-Allyl-1-methyl-2-thioxoimidazolidin-4-one
[300-57-2]C9H10
Allylbenzene
[57693-77-3]C11H18
Ethyl-tetramethylcyclopentadiene
[1377220-06-8]C14H17BF2O2
(E)-2-(2,6-difluorostyryl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

Fluorinated Building Blocks

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[2091593-59-6]C9H10F3NO
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
[861225-50-5]C11H9ClF2O3
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione

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