ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate

C14H20F2N2O3 — CID 170756091

IUPACethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate
SMILESCCOC(=O)C1CNCC12CN(C(=O)C1(C)CC1(F)F)C2
InChIInChI=1S/C14H20F2N2O3/c1-3-21-10(19)9-4-17-6-13(9)7-18(8-13)11(20)12(2)5-14(12,15)16/h9,17H,3-8H2,1-2H3
InChIKeyMLLCSRSJUMEHSW-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.64
Rot. Bonds3

About ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate

ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate (PubChem CID 170756091) has the molecular formula C14H20F2N2O3 and a molecular weight of 302.32 g/mol. Its IUPAC name is ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate
PubChem CID170756091
Molecular FormulaC14H20F2N2O3
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Nameethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate
SMILESCCOC(=O)C1CNCC12CN(C(=O)C1(C)CC1(F)F)C2
InChIInChI=1S/C14H20F2N2O3/c1-3-21-10(19)9-4-17-6-13(9)7-18(8-13)11(20)12(2)5-14(12,15)16/h9,17H,3-8H2,1-2H3
InChIKeyMLLCSRSJUMEHSW-UHFFFAOYSA-N
XLogP0.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate with MolForge

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Related Compounds

CID 146050348
CID 146050348
CID 162368047
CID 162368047
CID 170756090
CID 170756090
CID 170756205
CID 170756205
CID 170756464
CID 170756464
CID 170756477
CID 170756477
CID 170757471
CID 170757471
CID 170758949
CID 170758949
CID 170759033
CID 170759033
CID 174316760
CID 174316760
CID 174319253
CID 174319253
CID 175981314
CID 175981314

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate?
The IUPAC name of ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate (CID 170756091) is ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate is CCOC(=O)C1CNCC12CN(C(=O)C1(C)CC1(F)F)C2.
What is the InChIKey of ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate?
The InChIKey is MLLCSRSJUMEHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3/c1-3-21-10(19)9-4-17-6-13(9)7-18(8-13)11(20)12(2)5-14(12,15)16/h9,17H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate?
ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate has a molecular weight of 302.32 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 170756091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).