1-Adamantyl Fluoroformate

CAT: 0127-PC108922-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC108922-01Size:100 mg

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CAS Number

62087-82-5

Synonyms

1-adamantyl carbonofluoridate

Purity

95%

Smiles

C1C2CC3CC1CC(C2)(C3)OC(=O)F

Chemical Information

1-Adamantyl fluoroformate

structure

CAS Number	62087-82-5
PubChem CID	64433
IUPAC Name	1-adamantyl carbonofluoridate
Molecular Formula	C11H15FO2
Molecular Weight	198.23
XLogP	3.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	233

SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)F

InChI

InChI=1S/C11H15FO2/c12-10(13)14-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2

InChIKey

PNLZKVOKOVFGMZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62087-82-5

CID: 64433

Formula: C11H15FO2

MW: 198.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.23
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	198.10560788
Monoisotopic Mass	198.10560788
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	233
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
PC108047	Hexafluoroisopropyl fluoroformate
PC108059	Isopropyl fluoroformate
OR322196-01	1-Adamantyl isocyanate
OR1037773-01	1-Adamantyl Acetate
OR315783-01	1-Adamantyl acrylate
OR7171-01	1-Adamantyl isothiocyanate
OR111208-01	1- (1-Adamantyl) ethanol
OR1077898	N- (1-Adamantyl) ethylenediamine
OR73238-01	Tri (1-adamantyl) phosphine
OR22934	1-adamantyl (trimethyl) silane