4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane

C17H24F2N2 — CID 64876835

IUPAC4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC1CNC2(CCCCC2)CN1Cc1cccc(F)c1F
InChIInChI=1S/C17H24F2N2/c1-13-10-20-17(8-3-2-4-9-17)12-21(13)11-14-6-5-7-15(18)16(14)19/h5-7,13,20H,2-4,8-12H2,1H3
InChIKeyCVHOMAXFPZOOQS-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.46
Rot. Bonds2

About 4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane

4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64876835) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID64876835
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC1CNC2(CCCCC2)CN1Cc1cccc(F)c1F
InChIInChI=1S/C17H24F2N2/c1-13-10-20-17(8-3-2-4-9-17)12-21(13)11-14-6-5-7-15(18)16(14)19/h5-7,13,20H,2-4,8-12H2,1H3
InChIKeyCVHOMAXFPZOOQS-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane (CID 64876835) is 4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane is CC1CNC2(CCCCC2)CN1Cc1cccc(F)c1F.
What is the InChIKey of 4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is CVHOMAXFPZOOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-13-10-20-17(8-3-2-4-9-17)12-21(13)11-14-6-5-7-15(18)16(14)19/h5-7,13,20H,2-4,8-12H2,1H3.
What are the key properties of 4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane?
4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 294.39 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64876835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).