6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane

C16H23FN2 — CID 81468166

IUPAC6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane
SMILESCC1CC2(CCNCC2c2ccccc2F)CN1C
InChIInChI=1S/C16H23FN2/c1-12-9-16(11-19(12)2)7-8-18-10-14(16)13-5-3-4-6-15(13)17/h3-6,12,14,18H,7-11H2,1-2H3
InChIKeyJGVTZOIRUUOHFN-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.61
Rot. Bonds1

About 6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane

6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane (PubChem CID 81468166) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane
PubChem CID81468166
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane
SMILESCC1CC2(CCNCC2c2ccccc2F)CN1C
InChIInChI=1S/C16H23FN2/c1-12-9-16(11-19(12)2)7-8-18-10-14(16)13-5-3-4-6-15(13)17/h3-6,12,14,18H,7-11H2,1-2H3
InChIKeyJGVTZOIRUUOHFN-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane (CID 81468166) is 6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane is CC1CC2(CCNCC2c2ccccc2F)CN1C.
What is the InChIKey of 6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane?
The InChIKey is JGVTZOIRUUOHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-12-9-16(11-19(12)2)7-8-18-10-14(16)13-5-3-4-6-15(13)17/h3-6,12,14,18H,7-11H2,1-2H3.
What are the key properties of 6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane?
6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane has a molecular weight of 262.37 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 81468166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).