2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane

C13H25F2N — CID 170606930

IUPAC2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane
SMILESCCC.CCN1CC(F)(F)C2(CCCC2)C1
InChIInChI=1S/C10H17F2N.C3H8/c1-2-13-7-9(5-3-4-6-9)10(11,12)8-13;1-3-2/h2-8H2,1H3;3H2,1-2H3
InChIKeyOOOVPZUURYJAEU-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.93
Rot. Bonds1

About 2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane

2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane (PubChem CID 170606930) has the molecular formula C13H25F2N and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane.

Molecular Properties

Compound Name2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane
PubChem CID170606930
Molecular FormulaC13H25F2N
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane
SMILESCCC.CCN1CC(F)(F)C2(CCCC2)C1
InChIInChI=1S/C10H17F2N.C3H8/c1-2-13-7-9(5-3-4-6-9)10(11,12)8-13;1-3-2/h2-8H2,1H3;3H2,1-2H3
InChIKeyOOOVPZUURYJAEU-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.93
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
1-(4,4-Dimethylpentyl)-3,3-difluoropyrrolidine
CID 57979610
(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 58473066
4,4-Difluoro-8-methyl-8-azaspiro[4.5]decane
CID 67987612
3-(2,2-Dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 76797082
(2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine
CID 89007348
(3R)-1-(2,2-difluoroethyl)-3-methyl-3-propan-2-ylpyrrolidine
CID 118444582
3-(2,2-Dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 121406134
3-Tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122606396
3-Tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122664531
3-Tert-butyl-1-(2,2-difluoropropyl)-3-methylpyrrolidine
CID 126501632
3-Tert-butyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 126501638

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane?
The IUPAC name of 2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane (CID 170606930) is 2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane.
What is the SMILES notation for 2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane?
The canonical SMILES for 2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane is CCC.CCN1CC(F)(F)C2(CCCC2)C1.
What is the InChIKey of 2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane?
The InChIKey is OOOVPZUURYJAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N.C3H8/c1-2-13-7-9(5-3-4-6-9)10(11,12)8-13;1-3-2/h2-8H2,1H3;3H2,1-2H3.
What are the key properties of 2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane?
2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane has a molecular weight of 233.35 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4-difluoro-2-azaspiro[4.4]nonane;propane is sourced from PubChem (CID 170606930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).