Pentafluoropropanoic acid

CAT: 0127-PC104104-01Size: 5 gDry Ice: NoHazardous: No

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CAS Number

422-64-0

Synonyms

Perfluoropropanoic acid, Perfluoropropionic acid, Pentafluoropropionic acid

MDL Number

MFCD00004170

Purity

Tech

Smiles

OC(=O)C(F)(F)C(F)(F)F

Chemical Information

Pentafluoropropionic acid

ion pairing reagent; RN given refers to parent cpd

CAS Number	422-64-0
PubChem CID	62356
IUPAC Name	2,2,3,3,3-pentafluoropropanoic acid
Molecular Formula	C3HF5O2
Molecular Weight	164.03
XLogP	1.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	147

SMILES

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

InChI

InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)

InChIKey

LRMSQVBRUNSOJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 422-64-0

CID: 62356

Formula: C3HF5O2

MW: 164.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.03
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	163.98967008
Monoisotopic Mass	163.98967008
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	147
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
PC5750-01	Pentafluoropropanoic anhydride
OR1071368-01	Acid-apeg6-acid
BIM1576-01	Okadaic acid, free acid
BIFK0050-01	Carnosic Acid, Free Acid
BIF6400-01	Fusidic acid, free acid
BIPG1004-01	Acid-PEG2-SS-PEG2-Acid
BIPG1007-01	Acid-PEG6-SS-PEG6-Acid
BIPG1005-01	Acid-PEG3-SS-PEG3-Acid
OR1076924-01	Chenodeoxycholic Acid Impurity 1; Allochenodeoxycholic Acid
BIPG1006-01	Acid-PEG4-S-S-PEG4-Acid

Catalog	Name
419408-01	2, 2, 3, 3, 3-Pentafluoropropanoic Acid
TRC-P227235-1G	2,2,3,3,3-Pentafluoropropanoic Acid
TRC-P227237-10MG	2,2,3,3,3-Pentafluoropropanoic Acid-13C
419409-01	2, 2, 3, 3, 3-Pentafluoropropanoic Acid-13C
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
O8099-01	Oxalacetic Acid (Oxaloacetic acid)