N,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine

C23H27F2NO2 — CID 170721156

IUPACN,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine
SMILESFC1(F)CCC2(CC1CN(Cc1ccccc1)Cc1ccccc1)OCCO2
InChIInChI=1S/C23H27F2NO2/c24-23(25)12-11-22(27-13-14-28-22)15-21(23)18-26(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-10,21H,11-18H2
InChIKeyLZRFZHBPOHGVBL-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.87
Rot. Bonds6

About N,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine

N,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine (PubChem CID 170721156) has the molecular formula C23H27F2NO2 and a molecular weight of 387.47 g/mol. Its IUPAC name is N,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine
PubChem CID170721156
Molecular FormulaC23H27F2NO2
Molecular Weight387.47 g/mol
Exact Mass387.20
IUPAC NameN,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine
SMILESFC1(F)CCC2(CC1CN(Cc1ccccc1)Cc1ccccc1)OCCO2
InChIInChI=1S/C23H27F2NO2/c24-23(25)12-11-22(27-13-14-28-22)15-21(23)18-26(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-10,21H,11-18H2
InChIKeyLZRFZHBPOHGVBL-UHFFFAOYSA-N
XLogP4.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine?
The IUPAC name of N,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine (CID 170721156) is N,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine.
What is the SMILES notation for N,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine?
The canonical SMILES for N,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine is FC1(F)CCC2(CC1CN(Cc1ccccc1)Cc1ccccc1)OCCO2.
What is the InChIKey of N,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine?
The InChIKey is LZRFZHBPOHGVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2NO2/c24-23(25)12-11-22(27-13-14-28-22)15-21(23)18-26(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-10,21H,11-18H2.
What are the key properties of N,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine?
N,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine has a molecular weight of 387.47 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-(8,8-difluoro-1,4-dioxaspiro[4.5]decan-7-yl)methanamine is sourced from PubChem (CID 170721156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).