2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane

C12H21F2NO — CID 170771444

IUPAC2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane
SMILESCC(C)C1CCC2(CN1)CC(OC(F)F)C2
InChIInChI=1S/C12H21F2NO/c1-8(2)10-3-4-12(7-15-10)5-9(6-12)16-11(13)14/h8-11,15H,3-7H2,1-2H3
InChIKeyVUBNTTYOSUXIRY-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.78
Rot. Bonds3

About 2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane

2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane (PubChem CID 170771444) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane
PubChem CID170771444
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane
SMILESCC(C)C1CCC2(CN1)CC(OC(F)F)C2
InChIInChI=1S/C12H21F2NO/c1-8(2)10-3-4-12(7-15-10)5-9(6-12)16-11(13)14/h8-11,15H,3-7H2,1-2H3
InChIKeyVUBNTTYOSUXIRY-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane?
The IUPAC name of 2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane (CID 170771444) is 2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane?
The canonical SMILES for 2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane is CC(C)C1CCC2(CN1)CC(OC(F)F)C2.
What is the InChIKey of 2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane?
The InChIKey is VUBNTTYOSUXIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-8(2)10-3-4-12(7-15-10)5-9(6-12)16-11(13)14/h8-11,15H,3-7H2,1-2H3.
What are the key properties of 2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane?
2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane has a molecular weight of 233.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-7-propan-2-yl-6-azaspiro[3.5]nonane is sourced from PubChem (CID 170771444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).