2,2-Difluorohexanoic acid

CAT: 0127-PC106881Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC106881Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

175286-61-0

Purity

=95%

Smiles

CCCCC(F)(F)C(=O)O

Chemical Information

2,2-difluorohexanoic Acid

CAS Number	175286-61-0
PubChem CID	10725529
IUPAC Name	2,2-difluorohexanoic acid
Molecular Formula	C6H10F2O2
Molecular Weight	152.14
XLogP	2.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	123

SMILES

CCCCC(C(=O)O)(F)F

InChI

InChI=1S/C6H10F2O2/c1-2-3-4-6(7,8)5(9)10/h2-4H2,1H3,(H,9,10)

InChIKey

PKXVNCYLUCOREQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 175286-61-0

CID: 10725529

Formula: C6H10F2O2

MW: 152.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.14
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	152.06488588
Monoisotopic Mass	152.06488588
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	123
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
PC1007558-01	2- (2-Pyridyloxy) acetic acid;2,2,2-trifluoroacetic acid
OR302273-01	2,2,2-Triphenylacetic acid
PC49665-01	2,2,2-Trifluoroethanesulphonic acid
OR1102080-01	2,2'-Sulfinyldiacetic acid
OR1049228-01	2,2-Dimethoxypropanoic acid
PC9834-01	2,2-Difluoropropanoic acid
OR937096-01	2,2-Dimethylbutyric acid
BUP18751	2,2-Dimethylsuccinic acid
OR64743	2,2-Dibromopropanoic acid
OR1072110-01	2,2-Dipropylpentanoic acid

Catalog	Name
AHA28661-01	2,2-Difluorohexanoic acid
D3727-70	2,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)
TRC-T895695-1G	2,2,2-Triphenylacetic Acid
RG-T180914-01	2,2,2-Trichloroacetic Acid
A0536-45	2-Acetylthioisobutyric Acid ((2-Acetylthio) -2-methylpropanoic Acid)
MBS6023740-01	2-Acetylthioisobutyric Acid ((2-Acetylthio)-2-methylpropanoic Acid)
MBS6054549-01	2-Mercaptophenylacetic Acid (2-Mercaptobenzeneacetic Acid)
AR-V01417-01	Vildagliptin carboxylic acid 2,2,2-trifluoroacetic acid
TRC-N345640-5G	2-Naphthoic Acid (2-Naphthalenecarboxylic Acid)
C6529-500	2,2-Dihydroxyacetic acid