5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane

C16H28F2N2O — CID 176559315

IUPAC5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CC2(CCN(C3(C(C)C)COC3)CC2(F)F)C1
InChIInChI=1S/C16H28F2N2O/c1-4-6-19-8-14(9-19)5-7-20(10-16(14,17)18)15(13(2)3)11-21-12-15/h13H,4-12H2,1-3H3
InChIKeyIETLPEPBGSAHJN-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.46
Rot. Bonds4

About 5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane

5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane (PubChem CID 176559315) has the molecular formula C16H28F2N2O and a molecular weight of 302.41 g/mol. Its IUPAC name is 5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane
PubChem CID176559315
Molecular FormulaC16H28F2N2O
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Name5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CC2(CCN(C3(C(C)C)COC3)CC2(F)F)C1
InChIInChI=1S/C16H28F2N2O/c1-4-6-19-8-14(9-19)5-7-20(10-16(14,17)18)15(13(2)3)11-21-12-15/h13H,4-12H2,1-3H3
InChIKeyIETLPEPBGSAHJN-UHFFFAOYSA-N
XLogP2.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-3-propan-2-yl-1-propylazetidine
CID 163258527
ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane
CID 171514883
ethane;3-fluoro-3-methyl-1-propylazetidine
CID 153356034
ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane
CID 171515874
(3R)-3-fluoro-3-methyl-1-propylpyrrolidine
CID 177367853
CID 176776135
CID 176776135
ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 176558131
4-propan-2-yl-7-propyl-4,7-diazaspiro[2.5]octane
CID 121459196
CID 176776495
CID 176776495
CID 176776097
CID 176776097
1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.4]octan-2-yl)ethanol
CID 157032202
ethane;4-propylmorpholine
CID 143004992

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane (CID 176559315) is 5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane is CCCN1CC2(CCN(C3(C(C)C)COC3)CC2(F)F)C1.
What is the InChIKey of 5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is IETLPEPBGSAHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O/c1-4-6-19-8-14(9-19)5-7-20(10-16(14,17)18)15(13(2)3)11-21-12-15/h13H,4-12H2,1-3H3.
What are the key properties of 5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane?
5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 302.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-7-(3-propan-2-yloxetan-3-yl)-2-propyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 176559315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).