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

C16H22ClFN2 — CID 64947782

IUPAC9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1c1ccc(Cl)cc1F
InChIInChI=1S/C16H22ClFN2/c1-2-13-10-19-16(7-3-4-8-16)11-20(13)15-6-5-12(17)9-14(15)18/h5-6,9,13,19H,2-4,7-8,10-11H2,1H3
InChIKeyYALDYVLLYKSLQI-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.98
Rot. Bonds2

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

9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane (PubChem CID 64947782) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is 9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
PubChem CID64947782
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC Name9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1c1ccc(Cl)cc1F
InChIInChI=1S/C16H22ClFN2/c1-2-13-10-19-16(7-3-4-8-16)11-20(13)15-6-5-12(17)9-14(15)18/h5-6,9,13,19H,2-4,7-8,10-11H2,1H3
InChIKeyYALDYVLLYKSLQI-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-(4-chloro-2-fluorophenyl)-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

Related Compounds

9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64947975
3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64933062
9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64948555
3-ethyl-4-(4-fluoro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane
CID 79762113
3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64931267
8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane
CID 114840965
1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64934161
9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934134
8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 79046966
9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 107617370
4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64931476
8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 64933025

Frequently Asked Questions

What is the IUPAC name of 9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane (CID 64947782) is 9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane is CCC1CNC2(CCCC2)CN1c1ccc(Cl)cc1F.
What is the InChIKey of 9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is YALDYVLLYKSLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c1-2-13-10-19-16(7-3-4-8-16)11-20(13)15-6-5-12(17)9-14(15)18/h5-6,9,13,19H,2-4,7-8,10-11H2,1H3.
What are the key properties of 9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 296.82 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64947782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).