5,5-Difluoro-6-hydroxyhexanoic acid

CAT: 0926-XPD10702-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-XPD10702-01Size:50 mg

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CAS Number

2247107-02-2

MDL Number

MFCD31718505

Smiles

C (CC (=O) O) CC (CO) (F) F

Molecular Formula

C6H10F2O3

Molecular Weight

168.14 g/mol

Controlled

Chemical Information

5,5-Difluoro-6-hydroxyhexanoic acid

CAS Number	2247107-02-2
PubChem CID	138040209
IUPAC Name	5,5-difluoro-6-hydroxyhexanoic acid
Molecular Formula	C6H10F2O3
Molecular Weight	168.14
XLogP	0.4
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	136

SMILES

C(CC(=O)O)CC(CO)(F)F

InChI

InChI=1S/C6H10F2O3/c7-6(8,4-9)3-1-2-5(10)11/h9H,1-4H2,(H,10,11)

InChIKey

CAJZQFSPYJMDEE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2247107-02-2

CID: 138040209

Formula: C6H10F2O3

MW: 168.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.14
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	168.05980050
Monoisotopic Mass	168.05980050
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
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
FH30993-01	6-Hydroxyhexanoic acid
GAA06463	2-Hydroxyhexanoic acid
CDA87735-01	(3R) -3-Hydroxyhexanoic acid
TBA20107	(R) -2-Hydroxyhexanoic acid
KWC57019-01	3-Amino-2,6-difluoro-5-methylbenzoic acid
JNB23871-01	5,6-Difluoro-1H-indole-3-carboxylic acid
DXC58213-01	2,6-Difluoro-3-methyl-5-nitrobenzoic acid
CAA71425-01	4,6-Difluoro-5-nitropyrimidine
CCA77382-01	2-Amino-3-hydroxyhexanoic acid
GNA76571	3,5-Difluoro-2-nitrobenzoic acid

Catalog	Name
sc-341312A	2-amino-6,6-difluoro-5-hydroxyhexanoic acid
sc-340104A	2- (benzoylamino) -6,6-difluoro-5-hydroxyhexanoic acid
TRC-E678615-50MG	5-Ethyl-6-hydroxyhexanoic Acid
sc-343807	(2R,5R) -2-amino-6,6-difluoro-5-hydroxyhexanoic acid
TRC-E678617-5MG	5-Ethyl-6-hydroxyhexanoic Acid-d5
HY-W105750-01	6-Hydroxyhexanoic acid
sc-341314	2-amino-6,6,6-trifluoro-5-hydroxyhexanoic acid
sc-340106A	2- (benzoylamino) -6,6,6-trifluoro-5-hydroxyhexanoic acid
TRC-H942825-250MG	5-Hydroxyhexanoic Acid Sodium Salt
sc-343806	(2R,5R) -2- (benzoylamino) -6,6,6-trifluoro-5-hydroxyhexanoic acid