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

C15H19ClF2N2 — CID 83082636

IUPAC9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CNC2(CCCC2)CN1c1c(F)cc(F)cc1Cl
InChIInChI=1S/C15H19ClF2N2/c1-10-8-19-15(4-2-3-5-15)9-20(10)14-12(16)6-11(17)7-13(14)18/h6-7,10,19H,2-5,8-9H2,1H3
InChIKeyKVFNTRCCQGVKEY-UHFFFAOYSA-N
MW300.78 g/mol
LogP3.73
Rot. Bonds1

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

9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 83082636) has the molecular formula C15H19ClF2N2 and a molecular weight of 300.78 g/mol. Its IUPAC name is 9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID83082636
Molecular FormulaC15H19ClF2N2
Molecular Weight300.78 g/mol
Exact Mass300.12
IUPAC Name9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CNC2(CCCC2)CN1c1c(F)cc(F)cc1Cl
InChIInChI=1S/C15H19ClF2N2/c1-10-8-19-15(4-2-3-5-15)9-20(10)14-12(16)6-11(17)7-13(14)18/h6-7,10,19H,2-5,8-9H2,1H3
InChIKeyKVFNTRCCQGVKEY-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64947975
9-(4-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64933705
9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 66254919
9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane
CID 83082638
4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 66252023
4-(4-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107617374
4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 104728489
9-(4-bromo-2-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64935889
8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane
CID 64934883
4-(4-fluoro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 79772370
4-(4-chloro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107640021
4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64931877

Frequently Asked Questions

What is the IUPAC name of 9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane (CID 83082636) is 9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane is CC1CNC2(CCCC2)CN1c1c(F)cc(F)cc1Cl.
What is the InChIKey of 9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is KVFNTRCCQGVKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF2N2/c1-10-8-19-15(4-2-3-5-15)9-20(10)14-12(16)6-11(17)7-13(14)18/h6-7,10,19H,2-5,8-9H2,1H3.
What are the key properties of 9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 300.78 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 83082636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).