2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate

C12H20F2N2O2 — CID 118974417

IUPAC2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate
SMILESCCN1CC2(CCCN(C(=O)OCC(F)F)C2)C1
InChIInChI=1S/C12H20F2N2O2/c1-2-15-7-12(8-15)4-3-5-16(9-12)11(17)18-6-10(13)14/h10H,2-9H2,1H3
InChIKeyBACHQSZDXVAUIZ-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.81
Rot. Bonds3

About 2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate

2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate (PubChem CID 118974417) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate.

Molecular Properties

Compound Name2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate
PubChem CID118974417
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate
SMILESCCN1CC2(CCCN(C(=O)OCC(F)F)C2)C1
InChIInChI=1S/C12H20F2N2O2/c1-2-15-7-12(8-15)4-3-5-16(9-12)11(17)18-6-10(13)14/h10H,2-9H2,1H3
InChIKeyBACHQSZDXVAUIZ-UHFFFAOYSA-N
XLogP1.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoroethyl piperidine-1-carboxylate
CID 91056424
ethyl 3,3-difluoropiperidine-1-carboxylate
CID 118335614
2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate
CID 130256154
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63135724
2-hydroxyethyl 3,3-dimethylpiperidine-1-carboxylate
CID 79349145
ethane;2-ethyl-8-methyl-2,8-diazaspiro[3.5]nonane
CID 177048791
ethyl 3-bromo-3-iodopiperidine-1-carboxylate
CID 102589424
2-ethyl-2-azaspiro[3.3]heptane
CID 130337259
[(6S)-11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone
CID 97372902
N-methyl-2-(2-methylpropyl)-2,8-diazaspiro[3.5]nonane-8-carboxamide
CID 176647703
1-(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-2-one
CID 176578535

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate?
The IUPAC name of 2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate (CID 118974417) is 2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate.
What is the SMILES notation for 2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate?
The canonical SMILES for 2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate is CCN1CC2(CCCN(C(=O)OCC(F)F)C2)C1.
What is the InChIKey of 2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate?
The InChIKey is BACHQSZDXVAUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c1-2-15-7-12(8-15)4-3-5-16(9-12)11(17)18-6-10(13)14/h10H,2-9H2,1H3.
What are the key properties of 2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate?
2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate has a molecular weight of 262.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 2-ethyl-2,8-diazaspiro[3.5]nonane-8-carboxylate is sourced from PubChem (CID 118974417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).