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

C17H24ClFN2 — CID 64948555

IUPAC9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1c1ccc(Cl)cc1F
InChIInChI=1S/C17H24ClFN2/c1-12(2)16-10-20-17(7-3-4-8-17)11-21(16)15-6-5-13(18)9-14(15)19/h5-6,9,12,16,20H,3-4,7-8,10-11H2,1-2H3
InChIKeyWOXRUMLYMHQVOI-UHFFFAOYSA-N
MW310.84 g/mol
LogP4.23
Rot. Bonds2

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

9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64948555) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64948555
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1c1ccc(Cl)cc1F
InChIInChI=1S/C17H24ClFN2/c1-12(2)16-10-20-17(7-3-4-8-17)11-21(16)15-6-5-13(18)9-14(15)19/h5-6,9,12,16,20H,3-4,7-8,10-11H2,1-2H3
InChIKeyWOXRUMLYMHQVOI-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-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
9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64947782
4-(4-chlorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934091
9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79046276
4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64932927
4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934711
9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64931469
9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64932826
4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64935285
4-(4-chloro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107640021
9-(1-methylpyrazol-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79785950
1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine
CID 64948360

Frequently Asked Questions

What is the IUPAC name of 9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64948555) is 9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is CC(C)C1CNC2(CCCC2)CN1c1ccc(Cl)cc1F.
What is the InChIKey of 9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is WOXRUMLYMHQVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c1-12(2)16-10-20-17(7-3-4-8-17)11-21(16)15-6-5-13(18)9-14(15)19/h5-6,9,12,16,20H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 310.84 g/mol, XLogP of 4.23, 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-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64948555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).