Nonadecafluorodecanoic Acid

CAT: 1596-AR-P30896-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30896-01Size:10 Units

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CAS Number

335-76-2

Molecular Formula

C10HF19O2

Molecular Weight

514.09

API Name

Perfluoro acid

Chemical Information

Perfluorodecanoic acid

Perfluorodecanoic acid is a fluoroalkanoic acid that is perfluorinated decanoic acid. It has a role as a xenobiotic and an environmental contaminant. It is functionally related to a decanoic acid.

CAS Number	335-76-2
PubChem CID	9555
IUPAC Name	2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid
Molecular Formula	C10HF19O2
Molecular Weight	514.08
XLogP	6.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	8
Heavy Atom Count	31
Formal Charge	0
Complexity	701

SMILES

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

InChI

InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)

InChIKey

PCIUEQPBYFRTEM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 335-76-2

CID: 9555

Formula: C10HF19O2

MW: 514.08

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	514.08
XLogP3	6.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	8
Exact Mass	513.9673143
Monoisotopic Mass	513.9673143
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	701
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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Nonadecafluorodecanoic Acid

Chemical Information

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