2,2-difluoroethyl piperidine-1-carboxylate

C8H13F2NO2 — CID 91056424

IUPAC2,2-difluoroethyl piperidine-1-carboxylate
SMILESO=C(OCC(F)F)N1CCCCC1
InChIInChI=1S/C8H13F2NO2/c9-7(10)6-13-8(12)11-4-2-1-3-5-11/h7H,1-6H2
InChIKeyUSECIQMQXBMHKC-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.87
Rot. Bonds2

About 2,2-difluoroethyl piperidine-1-carboxylate

2,2-difluoroethyl piperidine-1-carboxylate (PubChem CID 91056424) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2,2-difluoroethyl piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2-difluoroethyl piperidine-1-carboxylate
PubChem CID91056424
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2,2-difluoroethyl piperidine-1-carboxylate
SMILESO=C(OCC(F)F)N1CCCCC1
InChIInChI=1S/C8H13F2NO2/c9-7(10)6-13-8(12)11-4-2-1-3-5-11/h7H,1-6H2
InChIKeyUSECIQMQXBMHKC-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

fluoromethyl piperidine-1-carboxylate
CID 141168732
2-aminopropyl pyrrolidine-1-carboxylate
CID 175158579
ethyl azacycloundecane-1-carboxylate
CID 67670496
2,2,2-trifluoroethyl azepane-1-carboxylate
CID 65168312
2-aminoethyl piperidine-1-carboxylate
CID 58684414
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
propyl azepane-1-carboxylate
CID 91585333
prop-2-enyl piperidine-1-carboxylate;hydrochloride
CID 139812322
(3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate
CID 156905517
2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 118974417
1-fluorobutyl piperidine-1-carboxylate
CID 68735520
ethyl azetidine-1-carboxylate
CID 14088501

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl piperidine-1-carboxylate?
The IUPAC name of 2,2-difluoroethyl piperidine-1-carboxylate (CID 91056424) is 2,2-difluoroethyl piperidine-1-carboxylate.
What is the SMILES notation for 2,2-difluoroethyl piperidine-1-carboxylate?
The canonical SMILES for 2,2-difluoroethyl piperidine-1-carboxylate is O=C(OCC(F)F)N1CCCCC1.
What is the InChIKey of 2,2-difluoroethyl piperidine-1-carboxylate?
The InChIKey is USECIQMQXBMHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-7(10)6-13-8(12)11-4-2-1-3-5-11/h7H,1-6H2.
What are the key properties of 2,2-difluoroethyl piperidine-1-carboxylate?
2,2-difluoroethyl piperidine-1-carboxylate has a molecular weight of 193.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl piperidine-1-carboxylate is sourced from PubChem (CID 91056424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).