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

C15H20ClFN2 — CID 64947975

IUPAC9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CNC2(CCCC2)CN1c1ccc(Cl)cc1F
InChIInChI=1S/C15H20ClFN2/c1-11-9-18-15(6-2-3-7-15)10-19(11)14-5-4-12(16)8-13(14)17/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3
InChIKeyQOBTXGXFDRRPMP-UHFFFAOYSA-N
MW282.79 g/mol
LogP3.59
Rot. Bonds1

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

9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 64947975) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is 9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID64947975
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC Name9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CNC2(CCCC2)CN1c1ccc(Cl)cc1F
InChIInChI=1S/C15H20ClFN2/c1-11-9-18-15(6-2-3-7-15)10-19(11)14-5-4-12(16)8-13(14)17/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3
InChIKeyQOBTXGXFDRRPMP-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107640021
9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64948555
9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64947782
1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine
CID 64948360
9-(4-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64933705
9-(4-bromo-2-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64935889
4-(4-fluoro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 79772370
9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 83082636
4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64946246
4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 104728489
4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 103481704
8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane
CID 64934883

Frequently Asked Questions

What is the IUPAC name of 9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane (CID 64947975) is 9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane is CC1CNC2(CCCC2)CN1c1ccc(Cl)cc1F.
What is the InChIKey of 9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is QOBTXGXFDRRPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2/c1-11-9-18-15(6-2-3-7-15)10-19(11)14-5-4-12(16)8-13(14)17/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3.
What are the key properties of 9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 282.79 g/mol, XLogP of 3.59, 1 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-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64947975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).