7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane

C16H21F2NO — CID 110197972

IUPAC7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
SMILESCOC1CCC12CCN(Cc1ccc(F)c(F)c1)CC2
InChIInChI=1S/C16H21F2NO/c1-20-15-4-5-16(15)6-8-19(9-7-16)11-12-2-3-13(17)14(18)10-12/h2-3,10,15H,4-9,11H2,1H3
InChIKeySGXTTZBCKIQTIT-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.36
Rot. Bonds3

About 7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane

7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane (PubChem CID 110197972) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is 7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
PubChem CID110197972
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
SMILESCOC1CCC12CCN(Cc1ccc(F)c(F)c1)CC2
InChIInChI=1S/C16H21F2NO/c1-20-15-4-5-16(15)6-8-19(9-7-16)11-12-2-3-13(17)14(18)10-12/h2-3,10,15H,4-9,11H2,1H3
InChIKeySGXTTZBCKIQTIT-UHFFFAOYSA-N
XLogP3.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane (CID 110197972) is 7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane is COC1CCC12CCN(Cc1ccc(F)c(F)c1)CC2.
What is the InChIKey of 7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane?
The InChIKey is SGXTTZBCKIQTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c1-20-15-4-5-16(15)6-8-19(9-7-16)11-12-2-3-13(17)14(18)10-12/h2-3,10,15H,4-9,11H2,1H3.
What are the key properties of 7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane?
7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane has a molecular weight of 281.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 110197972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).