ethyl 3,3-difluoropiperidine-1-carboxylate

C8H13F2NO2 — CID 118335614

IUPACethyl 3,3-difluoropiperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-2-13-7(12)11-5-3-4-8(9,10)6-11/h2-6H2,1H3
InChIKeyGFYPJHPQAGDMPV-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.87
Rot. Bonds1

About ethyl 3,3-difluoropiperidine-1-carboxylate

ethyl 3,3-difluoropiperidine-1-carboxylate (PubChem CID 118335614) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is ethyl 3,3-difluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3,3-difluoropiperidine-1-carboxylate
PubChem CID118335614
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Nameethyl 3,3-difluoropiperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-2-13-7(12)11-5-3-4-8(9,10)6-11/h2-6H2,1H3
InChIKeyGFYPJHPQAGDMPV-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 89382158
ethyl 3-bromo-3-iodopiperidine-1-carboxylate
CID 102589424
ethyl azetidine-1-carboxylate
CID 14088501
tert-butyl 3,3-difluoroazepane-1-carboxylate
CID 67979523
4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one
CID 116991427
ethyl 2-[4-(3,3-difluoropiperidin-1-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118303202
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl 4-[4-(3,3-difluoropyrrolidin-1-yl)piperidin-1-yl]azepane-1-carboxylate
CID 123970015
ethyl 4-hydroxy-4-methylazepane-1-carboxylate
CID 107406895
3,3-difluoropiperidine-1-carbohydrazide
CID 116991543

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-difluoropiperidine-1-carboxylate?
The IUPAC name of ethyl 3,3-difluoropiperidine-1-carboxylate (CID 118335614) is ethyl 3,3-difluoropiperidine-1-carboxylate.
What is the SMILES notation for ethyl 3,3-difluoropiperidine-1-carboxylate?
The canonical SMILES for ethyl 3,3-difluoropiperidine-1-carboxylate is CCOC(=O)N1CCCC(F)(F)C1.
What is the InChIKey of ethyl 3,3-difluoropiperidine-1-carboxylate?
The InChIKey is GFYPJHPQAGDMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-2-13-7(12)11-5-3-4-8(9,10)6-11/h2-6H2,1H3.
What are the key properties of ethyl 3,3-difluoropiperidine-1-carboxylate?
ethyl 3,3-difluoropiperidine-1-carboxylate has a molecular weight of 193.19 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-difluoropiperidine-1-carboxylate is sourced from PubChem (CID 118335614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).