6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane

C16H22F2N2 — CID 64844149

IUPAC6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CN(Cc2cc(F)ccc2F)C2(CCCC2)CN1
InChIInChI=1S/C16H22F2N2/c1-12-9-20(16(11-19-12)6-2-3-7-16)10-13-8-14(17)4-5-15(13)18/h4-5,8,12,19H,2-3,6-7,9-11H2,1H3
InChIKeyPQQQYEGWGZVOFL-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.07
Rot. Bonds2

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

6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 64844149) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID64844149
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CN(Cc2cc(F)ccc2F)C2(CCCC2)CN1
InChIInChI=1S/C16H22F2N2/c1-12-9-20(16(11-19-12)6-2-3-7-16)10-13-8-14(17)4-5-15(13)18/h4-5,8,12,19H,2-3,6-7,9-11H2,1H3
InChIKeyPQQQYEGWGZVOFL-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane (CID 64844149) is 6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane is CC1CN(Cc2cc(F)ccc2F)C2(CCCC2)CN1.
What is the InChIKey of 6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is PQQQYEGWGZVOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-12-9-20(16(11-19-12)6-2-3-7-16)10-13-8-14(17)4-5-15(13)18/h4-5,8,12,19H,2-3,6-7,9-11H2,1H3.
What are the key properties of 6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 280.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64844149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).