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

C22H24F2N2O — CID 155999720

IUPAC(2-fluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone
SMILESCC1(C)CC2(CCCN2C(=O)c2ccccc2F)CN1c1cccc(F)c1
InChIInChI=1S/C22H24F2N2O/c1-21(2)14-22(15-26(21)17-8-5-7-16(23)13-17)11-6-12-25(22)20(27)18-9-3-4-10-19(18)24/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3
InChIKeyZZFWJUHSYOFNJY-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.63
Rot. Bonds2

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

(2-fluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone (PubChem CID 155999720) has the molecular formula C22H24F2N2O and a molecular weight of 370.44 g/mol. Its IUPAC name is (2-fluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone
PubChem CID155999720
Molecular FormulaC22H24F2N2O
Molecular Weight370.44 g/mol
Exact Mass370.19
IUPAC Name(2-fluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone
SMILESCC1(C)CC2(CCCN2C(=O)c2ccccc2F)CN1c1cccc(F)c1
InChIInChI=1S/C22H24F2N2O/c1-21(2)14-22(15-26(21)17-8-5-7-16(23)13-17)11-6-12-25(22)20(27)18-9-3-4-10-19(18)24/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3
InChIKeyZZFWJUHSYOFNJY-UHFFFAOYSA-N
XLogP4.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone (CID 155999720) is (2-fluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone is CC1(C)CC2(CCCN2C(=O)c2ccccc2F)CN1c1cccc(F)c1.
What is the InChIKey of (2-fluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone?
The InChIKey is ZZFWJUHSYOFNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O/c1-21(2)14-22(15-26(21)17-8-5-7-16(23)13-17)11-6-12-25(22)20(27)18-9-3-4-10-19(18)24/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3.
What are the key properties of (2-fluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone?
(2-fluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone has a molecular weight of 370.44 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[7-(3-fluorophenyl)-8,8-dimethyl-1,7-diazaspiro[4.4]nonan-1-yl]methanone is sourced from PubChem (CID 155999720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).