4- (2,2-Difluoroethoxy) piperidine

CAT: 0926-IXB89834-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-IXB89834-01Size:50 mg

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CAS Number

1183898-34-1

MDL Number

MFCD12768665

Smiles

C1CNCCC1OCC (F) F.Cl

Molecular Formula

C7H14ClF2NO

Molecular Weight

201.64 g/mol

Controlled

Chemical Information

4-(2,2-Difluoroethoxy)piperidine

CAS Number	1183898-34-1
PubChem CID	60921781
IUPAC Name	4-(2,2-difluoroethoxy)piperidine
Molecular Formula	C7H13F2NO
Molecular Weight	165.18
XLogP	1.1
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	105

SMILES

C1CNCCC1OCC(F)F

InChI

InChI=1S/C7H13F2NO/c8-7(9)5-11-6-1-3-10-4-2-6/h6-7,10H,1-5H2

InChIKey

LZDWLGPCSOQYAV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1183898-34-1

CID: 60921781

Formula: C7H13F2NO

MW: 165.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.18
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	165.09652036
Monoisotopic Mass	165.09652036
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	105
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
DFA14072-01	4- (2,2-difluoroethoxy) benzaldehyde
TQB05348-01	2- (2,2-Difluoroethoxy) -4-methylaniline
IXB16757-01	2- (2,2-Difluoroethoxy) -4-fluoroaniline
JXB38953-01	[4- (2,2-Difluoroethoxy) phenyl]methanol
MMB59860-01	4- (2,2-Difluoroethoxy) -3-fluoroaniline
DXB29647-01	3- (2,2-Difluoroethoxy) -4-methoxyaniline
EXB12775-01	4- (2,2-Difluoroethoxy) -3-methoxybenzaldehyde
IXB98708-01	3- (2,2-Difluoroethoxy) -4-methylaniline
WLB62304-01	4- (2,2-Difluoroethoxy) benzoic acid
HHC68013-01	4- (2,2-Difluoroethoxy) pyridine-2-carbonitrile