2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane

C16H27F2NO — CID 170676363

IUPAC2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane
SMILESCC(C)OCC1(CN2CCC3(CC2)CC(F)(F)C3)CC1
InChIInChI=1S/C16H27F2NO/c1-13(2)20-12-15(3-4-15)11-19-7-5-14(6-8-19)9-16(17,18)10-14/h13H,3-12H2,1-2H3
InChIKeyVZQACQONKICLFB-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.70
Rot. Bonds5

About 2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane

2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane (PubChem CID 170676363) has the molecular formula C16H27F2NO and a molecular weight of 287.39 g/mol. Its IUPAC name is 2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane
PubChem CID170676363
Molecular FormulaC16H27F2NO
Molecular Weight287.39 g/mol
Exact Mass287.21
IUPAC Name2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane
SMILESCC(C)OCC1(CN2CCC3(CC2)CC(F)(F)C3)CC1
InChIInChI=1S/C16H27F2NO/c1-13(2)20-12-15(3-4-15)11-19-7-5-14(6-8-19)9-16(17,18)10-14/h13H,3-12H2,1-2H3
InChIKeyVZQACQONKICLFB-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane with MolForge

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Related Compounds

4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine
CID 129290451
4-Cyclobutyloxy-1-(6,6,6-trifluoro-5-methylhexyl)piperidine
CID 167542417
(2S)-4-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)morpholine
CID 170186737
1-[[1-(Propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
CID 170343535
1-[[1-(Propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170343538
4-(1,1-Difluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170367549
2,2-Difluoro-6-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-6-azaspiro[2.5]octane
CID 170369362
4,4-Difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170412690
4-Methoxy-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170421877
4-Methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170424249
2,2-Difluoro-5-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-5-azaspiro[2.5]octane
CID 170676524
4-Tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170777606

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane (CID 170676363) is 2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane is CC(C)OCC1(CN2CCC3(CC2)CC(F)(F)C3)CC1.
What is the InChIKey of 2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane?
The InChIKey is VZQACQONKICLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2NO/c1-13(2)20-12-15(3-4-15)11-19-7-5-14(6-8-19)9-16(17,18)10-14/h13H,3-12H2,1-2H3.
What are the key properties of 2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane?
2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane has a molecular weight of 287.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 170676363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).