N-t-BOC-4,4-Difluorocyclohexanamine

CAT: 0127-PC409040-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC409040-01Size:250 mg

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CAS Number

675112-67-1

MDL Number

MFCD07781263

Purity

95%

Smiles

CC(C)(C)OC(=O)NC1CCC(F)(F)CC1

Chemical Information

tert-Butyl 4,4-difluorocyclohexylcarbamate

CAS Number	675112-67-1
PubChem CID	22175003
IUPAC Name	tert-butyl N-(4,4-difluorocyclohexyl)carbamate
Molecular Formula	C11H19F2NO2
Molecular Weight	235.27
XLogP	2.9
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	251

SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)(F)F

InChI

InChI=1S/C11H19F2NO2/c1-10(2,3)16-9(15)14-8-4-6-11(12,13)7-5-8/h8H,4-7H2,1-3H3,(H,14,15)

InChIKey

OWELBZTXHNMEKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 675112-67-1

CID: 22175003

Formula: C11H19F2NO2

MW: 235.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.27
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	235.13838517
Monoisotopic Mass	235.13838517
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	251
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
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OR316016-01	N-t-BOC-4-Methylene-L-proline
OR316060	N-t-BOC-4-Methylene-D-Proline
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PC409010-01	N-t-BOC-cis-4-Fluoro-L-Prolinonitrile

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