9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane

C17H24ClFN2 — CID 64877362

IUPAC9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1Cc1ccc(F)cc1Cl
InChIInChI=1S/C17H24ClFN2/c1-2-15-10-20-17(7-3-4-8-17)12-21(15)11-13-5-6-14(19)9-16(13)18/h5-6,9,15,20H,2-4,7-8,10-12H2,1H3
InChIKeyBEEKSANUYYIGMA-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.98
Rot. Bonds3

About 9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane

9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane (PubChem CID 64877362) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
PubChem CID64877362
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1Cc1ccc(F)cc1Cl
InChIInChI=1S/C17H24ClFN2/c1-2-15-10-20-17(7-3-4-8-17)12-21(15)11-13-5-6-14(19)9-16(13)18/h5-6,9,15,20H,2-4,7-8,10-12H2,1H3
InChIKeyBEEKSANUYYIGMA-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane (CID 64877362) is 9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane is CCC1CNC2(CCCC2)CN1Cc1ccc(F)cc1Cl.
What is the InChIKey of 9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is BEEKSANUYYIGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c1-2-15-10-20-17(7-3-4-8-17)12-21(15)11-13-5-6-14(19)9-16(13)18/h5-6,9,15,20H,2-4,7-8,10-12H2,1H3.
What are the key properties of 9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 310.84 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64877362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).