Nonafluoropentanoic Acid

CAT: 0572-TRC-N649515-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-N649515-100MGSize:100 mg

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CAS Number

2706-90-3

Synonyms

PFPeA; PFPA; Pentanoic acid, nonafluoro- (9CI); Valeric acid, nonafluoro- (6CI,8CI); 2,2,3,3,4,4,5,5,5-Nonafluoropentanoic acid; NSC 18404; Nonafluoropentanoic acid; Nonafluorovaleric acid; PFPeA; Perfluoropentanoic acid; Perfluorovaleric acid; PFC

Hazard Statement

May be corrosive to metals; UN number: UN3265; Packing Group: II

Purity

>95% (GC)

Smiles

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

Molecular Formula

C5 H F9 O2

Molecular Weight

264.05

InChI

InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)

Additionnal Information

IUPAC name: 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid

Shipping Conditions

Ice Packs

Storage Conditions

+4°C

Chemical Information

Perfluoropentanoic acid

Perfluoropentanoic acid is a monocarboxylic acid that is perfluorinated pentanoic acid. It has a role as a xenobiotic and an environmental contaminant. It is functionally related to a valeric acid.

CAS Number	2706-90-3
PubChem CID	75921
IUPAC Name	2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
Molecular Formula	C5HF9O2
Molecular Weight	264.05
XLogP	2.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	291

SMILES

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

InChI

InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)

InChIKey

CXZGQIAOTKWCDB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2706-90-3

CID: 75921

Formula: C5HF9O2

MW: 264.05

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	264.05
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	3
Exact Mass	263.98328273
Monoisotopic Mass	263.98328273
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	291
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

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Nonafluoropentanoic Acid

Chemical Information

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