2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane

C11H12ClFN2 — CID 58042937

IUPAC2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane
SMILESFc1ccc(Cl)c(N2CC3(CNC3)C2)c1
InChIInChI=1S/C11H12ClFN2/c12-9-2-1-8(13)3-10(9)15-6-11(7-15)4-14-5-11/h1-3,14H,4-7H2
InChIKeySBMXOGVSFIMMNY-UHFFFAOYSA-N
MW226.68 g/mol
LogP1.89
Rot. Bonds1

About 2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane

2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane (PubChem CID 58042937) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane
PubChem CID58042937
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC Name2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane
SMILESFc1ccc(Cl)c(N2CC3(CNC3)C2)c1
InChIInChI=1S/C11H12ClFN2/c12-9-2-1-8(13)3-10(9)15-6-11(7-15)4-14-5-11/h1-3,14H,4-7H2
InChIKeySBMXOGVSFIMMNY-UHFFFAOYSA-N
XLogP1.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione
CID 107531477
2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane
CID 170087959
1-(2-chloro-5-fluorophenyl)-3-methyl-1,4-diazepane
CID 107531575
3-(2-azaspiro[3.4]octan-2-yl)-4-chloroaniline
CID 79688418
2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120966877
3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol
CID 102617348
3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine
CID 102621662
2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoroaniline
CID 89272054
2-[6-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-5-[2-(2,2-dimethylpropyl)tetrazol-5-yl]-1,3-thiazole
CID 58042946
(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane
CID 96706336
1-(2-chloro-5-fluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 107531960
1-(2-chloro-5-fluorophenyl)-3-phenyl-1,4-diazepane
CID 107531557

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane (CID 58042937) is 2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane is Fc1ccc(Cl)c(N2CC3(CNC3)C2)c1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is SBMXOGVSFIMMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2/c12-9-2-1-8(13)3-10(9)15-6-11(7-15)4-14-5-11/h1-3,14H,4-7H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane?
2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 226.68 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 58042937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).