Perfluoroheptanoic acid

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CAS Number

375-85-9

Synonyms

Tridecafluoroheptanoic acid, Perfluoroenanthic acid

MDL Number

MFCD00039604

Purity

98%

Smiles

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

Chemical Information

Perfluoroheptanoic acid

Perfluoroheptanoic acid is a fluoroalkanoic acid that is perfluorinated heptanoic acid. It has a role as a xenobiotic and an environmental contaminant. It is functionally related to a perfluoroheptane and a heptanoic acid.

CAS Number	375-85-9
PubChem CID	67818
IUPAC Name	2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
Molecular Formula	C7HF13O2
Molecular Weight	364.06
XLogP	4.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	448

SMILES

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

InChI

InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)

InChIKey

ZWBAMYVPMDSJGQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 375-85-9

CID: 67818

Formula: C7HF13O2

MW: 364.06

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	364.06
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	5
Exact Mass	363.9768954
Monoisotopic Mass	363.9768954
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	448
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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PC4436	(Perfluoroheptanoyl) acetone
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PC10010-01	Perfluoroheptanoyl chloride
PC6453	Perfluoroheptanoyl bromide
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Catalog	Name
TRC-P286300-1G	Perfluoroheptanoic Acid
TRC-P286303-10MG	Perfluoroheptanoic Acid-13C
AR-P30877-01	Perfluoroheptanoic-13C Acid
sc-264044A	Perfluoroheptanoic anhydride
M2859	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)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid

Perfluoroheptanoic acid

Chemical Information

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