2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane

C12H21F2N — CID 58300287

IUPAC2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane
SMILESCC(C)C1CC2(CN1C(C)C)CC2(F)F
InChIInChI=1S/C12H21F2N/c1-8(2)10-5-11(6-12(11,13)14)7-15(10)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyXEPHIGPIAFWMIA-UHFFFAOYSA-N
MW217.30 g/mol
LogP3.15
Rot. Bonds2

About 2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane

2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane (PubChem CID 58300287) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is 2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane
PubChem CID58300287
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane
SMILESCC(C)C1CC2(CN1C(C)C)CC2(F)F
InChIInChI=1S/C12H21F2N/c1-8(2)10-5-11(6-12(11,13)14)7-15(10)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyXEPHIGPIAFWMIA-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 22972511
(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608
(2R)-1-ethyl-4,4-difluoro-2-(2-methylpropyl)pyrrolidine
CID 58279609
(2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 58279613
2-(2,2-Dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 58530718
1-Methyl-3-(2,2,3,3-tetrafluoro-1-methylcyclopropyl)pyrrolidine
CID 58944992
2,2-Difluoro-5-methyl-6-propan-2-yl-5-azaspiro[2.4]heptane
CID 68045039
2,2-Difluoro-6-methyl-5-propan-2-yl-5-azaspiro[2.4]heptane
CID 68046996
2-Butan-2-yl-4,4-difluoro-1-methylpyrrolidine
CID 68048638
2,2-Difluoro-5,6-dimethyl-5-azaspiro[2.4]heptane
CID 68264133
2-Butan-2-yl-4-fluoro-1,4-dimethylpyrrolidine
CID 68383254
2-Butan-2-yl-4-(difluoromethyl)-1-methylpyrrolidine
CID 68392728

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane?
The IUPAC name of 2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane (CID 58300287) is 2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane.
What is the SMILES notation for 2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane?
The canonical SMILES for 2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane is CC(C)C1CC2(CN1C(C)C)CC2(F)F.
What is the InChIKey of 2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane?
The InChIKey is XEPHIGPIAFWMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N/c1-8(2)10-5-11(6-12(11,13)14)7-15(10)9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane?
2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane has a molecular weight of 217.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane is sourced from PubChem (CID 58300287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).