Ethyl 2,2-difluoro-3-hydroxypropanoate

CAT: 0926-AAA38041-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA38041-01Size:50 mg

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CAS Number

380-41-6

MDL Number

MFCD05864326

Smiles

CCOC (=O) C (CO) (F) F

Molecular Formula

C5H8F2O3

Molecular Weight

154.11 g/mol

Controlled

Chemical Information

Ethyl 2,2-difluoro-3-hydroxypropanoate

CAS Number	380-41-6
PubChem CID	2758828
IUPAC Name	ethyl 2,2-difluoro-3-hydroxypropanoate
Molecular Formula	C5H8F2O3
Molecular Weight	154.11
XLogP	0.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	124

SMILES

CCOC(=O)C(CO)(F)F

InChI

InChI=1S/C5H8F2O3/c1-2-10-4(9)5(6,7)3-8/h8H,2-3H2,1H3

InChIKey

HHDADYBESRVMSN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 380-41-6

CID: 2758828

Formula: C5H8F2O3

MW: 154.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.11
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	154.04415044
Monoisotopic Mass	154.04415044
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	124
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BAA99392-01	Ethyl 2-fluoro-3-hydroxypropanoate
SDA23423-01	Ethyl 3-bromo-2-hydroxypropanoate
FE122905-01	Ethyl 3-hydroxypropanoate
MLC32913-01	Ethyl 3- (3-bromophenyl) -2-hydroxypropanoate
DAA94027	Ethyl 2-amino-3-hydroxypropanoate hydrochloride
AAC35714-01	Ethyl 2- (3,4-difluorophenyl) -2-hydroxypropanoate
XCA71512-01	Ethyl 3-cyclopropyl-3-hydroxypropanoate
QCC36863-01	Ethyl 3- (5-bromo-2-methoxyphenyl) -3-hydroxypropanoate
WMA94291-01	Ethyl 2,2-difluoro-3-hydroxybutanoate
BCA69941-01	Ethyl 3- (3-bromophenyl) -3-hydroxypropanoate

Catalog	Name
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