(2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone

C22H23F3N2O — CID 155999715

IUPAC(2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone
SMILESCC1(C)CC2(CCCN2C(=O)c2cccc(F)c2F)CN1c1cccc(F)c1
InChIInChI=1S/C22H23F3N2O/c1-21(2)13-22(14-27(21)16-7-3-6-15(23)12-16)10-5-11-26(22)20(28)17-8-4-9-18(24)19(17)25/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3
InChIKeyJOSSYXOSWXAZAI-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.77
Rot. Bonds2

About (2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone

(2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone (PubChem CID 155999715) has the molecular formula C22H23F3N2O and a molecular weight of 388.43 g/mol. Its IUPAC name is (2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone
PubChem CID155999715
Molecular FormulaC22H23F3N2O
Molecular Weight388.43 g/mol
Exact Mass388.18
IUPAC Name(2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone
SMILESCC1(C)CC2(CCCN2C(=O)c2cccc(F)c2F)CN1c1cccc(F)c1
InChIInChI=1S/C22H23F3N2O/c1-21(2)13-22(14-27(21)16-7-3-6-15(23)12-16)10-5-11-26(22)20(28)17-8-4-9-18(24)19(17)25/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3
InChIKeyJOSSYXOSWXAZAI-UHFFFAOYSA-N
XLogP4.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone?
The IUPAC name of (2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone (CID 155999715) is (2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone.
What is the SMILES notation for (2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone?
The canonical SMILES for (2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone is CC1(C)CC2(CCCN2C(=O)c2cccc(F)c2F)CN1c1cccc(F)c1.
What is the InChIKey of (2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone?
The InChIKey is JOSSYXOSWXAZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O/c1-21(2)13-22(14-27(21)16-7-3-6-15(23)12-16)10-5-11-26(22)20(28)17-8-4-9-18(24)19(17)25/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3.
What are the key properties of (2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone?
(2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone has a molecular weight of 388.43 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone is sourced from PubChem (CID 155999715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).