6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane

C17H24BrFN2 — CID 64843737

IUPAC6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CN(Cc2cc(Br)ccc2F)C2(CCCC2)CN1
InChIInChI=1S/C17H24BrFN2/c1-2-15-11-21(17(12-20-15)7-3-4-8-17)10-13-9-14(18)5-6-16(13)19/h5-6,9,15,20H,2-4,7-8,10-12H2,1H3
InChIKeyFLFPMJBNMSCAHB-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.08
Rot. Bonds3

About 6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane

6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane (PubChem CID 64843737) has the molecular formula C17H24BrFN2 and a molecular weight of 355.30 g/mol. Its IUPAC name is 6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
PubChem CID64843737
Molecular FormulaC17H24BrFN2
Molecular Weight355.30 g/mol
Exact Mass354.11
IUPAC Name6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CN(Cc2cc(Br)ccc2F)C2(CCCC2)CN1
InChIInChI=1S/C17H24BrFN2/c1-2-15-11-21(17(12-20-15)7-3-4-8-17)10-13-9-14(18)5-6-16(13)19/h5-6,9,15,20H,2-4,7-8,10-12H2,1H3
InChIKeyFLFPMJBNMSCAHB-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane (CID 64843737) is 6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane is CCC1CN(Cc2cc(Br)ccc2F)C2(CCCC2)CN1.
What is the InChIKey of 6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is FLFPMJBNMSCAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2/c1-2-15-11-21(17(12-20-15)7-3-4-8-17)10-13-9-14(18)5-6-16(13)19/h5-6,9,15,20H,2-4,7-8,10-12H2,1H3.
What are the key properties of 6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 355.30 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64843737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).