10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane

C17H24ClFN2 — CID 64871995

IUPAC10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCC1CCNC2(CCCC2)CN1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H24ClFN2/c1-13-7-10-20-17(8-2-3-9-17)12-21(13)11-14-15(18)5-4-6-16(14)19/h4-6,13,20H,2-3,7-12H2,1H3
InChIKeyWWSLZWNEYYNLEJ-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.98
Rot. Bonds2

About 10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane

10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane (PubChem CID 64871995) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane
PubChem CID64871995
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCC1CCNC2(CCCC2)CN1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H24ClFN2/c1-13-7-10-20-17(8-2-3-9-17)12-21(13)11-14-15(18)5-4-6-16(14)19/h4-6,13,20H,2-3,7-12H2,1H3
InChIKeyWWSLZWNEYYNLEJ-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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Frequently Asked Questions

What is the IUPAC name of 10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane (CID 64871995) is 10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane is CC1CCNC2(CCCC2)CN1Cc1c(F)cccc1Cl.
What is the InChIKey of 10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane?
The InChIKey is WWSLZWNEYYNLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c1-13-7-10-20-17(8-2-3-9-17)12-21(13)11-14-15(18)5-4-6-16(14)19/h4-6,13,20H,2-3,7-12H2,1H3.
What are the key properties of 10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane?
10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane 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 10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64871995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).