2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol

C20H22F2N2O — CID 123463155

IUPAC2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol
SMILESCN1CCC2(CCC(c3cccc(-c4ccccc4F)c3F)N2)C1O
InChIInChI=1S/C20H22F2N2O/c1-24-12-11-20(19(24)25)10-9-17(23-20)15-7-4-6-14(18(15)22)13-5-2-3-8-16(13)21/h2-8,17,19,23,25H,9-12H2,1H3
InChIKeyJBWLVFYNFGDSOT-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.45
Rot. Bonds2

About 2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol

2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol (PubChem CID 123463155) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol.

Molecular Properties

Compound Name2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol
PubChem CID123463155
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol
SMILESCN1CCC2(CCC(c3cccc(-c4ccccc4F)c3F)N2)C1O
InChIInChI=1S/C20H22F2N2O/c1-24-12-11-20(19(24)25)10-9-17(23-20)15-7-4-6-14(18(15)22)13-5-2-3-8-16(13)21/h2-8,17,19,23,25H,9-12H2,1H3
InChIKeyJBWLVFYNFGDSOT-UHFFFAOYSA-N
XLogP3.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol?
The IUPAC name of 2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol (CID 123463155) is 2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol.
What is the SMILES notation for 2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol?
The canonical SMILES for 2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol is CN1CCC2(CCC(c3cccc(-c4ccccc4F)c3F)N2)C1O.
What is the InChIKey of 2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol?
The InChIKey is JBWLVFYNFGDSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O/c1-24-12-11-20(19(24)25)10-9-17(23-20)15-7-4-6-14(18(15)22)13-5-2-3-8-16(13)21/h2-8,17,19,23,25H,9-12H2,1H3.
What are the key properties of 2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol?
2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol has a molecular weight of 344.41 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(2-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-ol is sourced from PubChem (CID 123463155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).