4,4-Difluorpentanoic acid

CAT: 0926-FD164906Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FD164906Size:100 mg

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CAS Number

125110-82-9

MDL Number

MFCD09806700

Smiles

CC (CCC (=O) O) (F) F

Molecular Formula

C5H8F2O2

Molecular Weight

138.11 g/mol

Controlled

Chemical Information

4,4-Difluoropentanoic acid

CAS Number	125110-82-9
PubChem CID	22574853
IUPAC Name	4,4-difluoropentanoic acid
Molecular Formula	C5H8F2O2
Molecular Weight	138.11
XLogP	1.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	112

SMILES

CC(CCC(=O)O)(F)F

InChI

InChI=1S/C5H8F2O2/c1-5(6,7)3-2-4(8)9/h2-3H2,1H3,(H,8,9)

InChIKey

IMDBVJNJIGOFTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 125110-82-9

CID: 22574853

Formula: C5H8F2O2

MW: 138.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.11
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	138.04923582
Monoisotopic Mass	138.04923582
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	112
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
RPD12781-01	2-Amino-4,4-difluoropentanoic acid hydrochloride
XXC58602-01	2-{[ (tert-Butoxy) carbonyl]amino}-4,4-difluoropentanoic acid
FN31014-01	4,4',4''-Nitrilotribenzoic acid
FB62322-01	4,4'-Biphenyldiboronic acid
FB02682-01	4,4'-Biphenyldisulfonic acid
FD99575	4,4-Difluorocyclohexaneacetic acid
FD54832-01	4,4'-Dibenzoic acid
FD22559-01	4,4'-Dithiobisbenzoic acid
GCA87239-01	4- (4-hydroxyphenyl) -4-oxobutanoic acid
CBA57905-01	4-Cyano-4,4-dimethylbutanoic acid

Catalog	Name
OR1001790-01	4,4',4'',4'''-Silanetetrayltetrabenzoic acid
sc-262191	4,4,4-Trifluorobutyric acid
PC7292-01	4,4,4-Trifluorobutanoic acid
OR1048070-01	4,4',4''-Phosphanetriyltribenzoic acid
OR91009-01	4,4',4''-Phosphoryltribenzoic acid
OR1011274-01	4,4',4'',4'''-Methanetetrayltetrabenzoic Acid
sc-277680	4,4,4-Trichlorobutyric acid
PC3392-01	4,4,4-Trifluorocrotonic acid
OR73423-01	4,4',4''-Nitrilotribenzoic acid
M2952-64	4-Mercaptophenylbutyric Acid (4- (4-Mercaptophenyl) butyric Acid)