7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane

C15H20F2N2 — CID 56909663

IUPAC7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
SMILESFc1ccc(CN2CCCC3(CCNC3)C2)cc1F
InChIInChI=1S/C15H20F2N2/c16-13-3-2-12(8-14(13)17)9-19-7-1-4-15(11-19)5-6-18-10-15/h2-3,8,18H,1,4-7,9-11H2
InChIKeyPFZNQQUPANSXIR-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.54
Rot. Bonds2

About 7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane

7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 56909663) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
PubChem CID56909663
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
SMILESFc1ccc(CN2CCCC3(CCNC3)C2)cc1F
InChIInChI=1S/C15H20F2N2/c16-13-3-2-12(8-14(13)17)9-19-7-1-4-15(11-19)5-6-18-10-15/h2-3,8,18H,1,4-7,9-11H2
InChIKeyPFZNQQUPANSXIR-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane (CID 56909663) is 7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane is Fc1ccc(CN2CCCC3(CCNC3)C2)cc1F.
What is the InChIKey of 7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is PFZNQQUPANSXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c16-13-3-2-12(8-14(13)17)9-19-7-1-4-15(11-19)5-6-18-10-15/h2-3,8,18H,1,4-7,9-11H2.
What are the key properties of 7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane?
7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane has a molecular weight of 266.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 56909663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).