6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane

C17H24ClFN2 — CID 103041794

IUPAC6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
SMILESCC1(C)CN(Cc2ccc(F)c(Cl)c2)C2(CCCC2)CN1
InChIInChI=1S/C17H24ClFN2/c1-16(2)12-21(17(11-20-16)7-3-4-8-17)10-13-5-6-15(19)14(18)9-13/h5-6,9,20H,3-4,7-8,10-12H2,1-2H3
InChIKeyQGWGIICMOOALEH-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.98
Rot. Bonds2

About 6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane

6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane (PubChem CID 103041794) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
PubChem CID103041794
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
SMILESCC1(C)CN(Cc2ccc(F)c(Cl)c2)C2(CCCC2)CN1
InChIInChI=1S/C17H24ClFN2/c1-16(2)12-21(17(11-20-16)7-3-4-8-17)10-13-5-6-15(19)14(18)9-13/h5-6,9,20H,3-4,7-8,10-12H2,1-2H3
InChIKeyQGWGIICMOOALEH-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 81154666
1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
CID 103041811
9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952975
8,8-dimethyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64842668
6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64844626
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933207
1-[(4-chloro-3-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 107888674
1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 114857928
9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 64878549
8,8-dimethyl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64840920
2-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5,5-trimethylpiperazine
CID 64843626

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane (CID 103041794) is 6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane is CC1(C)CN(Cc2ccc(F)c(Cl)c2)C2(CCCC2)CN1.
What is the InChIKey of 6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is QGWGIICMOOALEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c1-16(2)12-21(17(11-20-16)7-3-4-8-17)10-13-5-6-15(19)14(18)9-13/h5-6,9,20H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of 6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 310.84 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 6-[(3-chloro-4-fluorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 103041794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).