4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine

C14H14F2N4 — CID 160611567

IUPAC4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine
SMILES[H]/N=c1\c(C)c(F)c2c(=N/C)/c(=N/[H])c(C)c(F)c=2\c1=N\C
InChIInChI=1S/C14H14F2N4/c1-5-9(15)7-8(13(19-3)11(5)17)10(16)6(2)12(18)14(7)20-4/h17-18H,1-4H3/b17-11+,18-12+,19-13-,20-14-
InChIKeyRFOARHUGEWAISE-MIYNHGSZSA-N
MW276.29 g/mol
LogP0.20
Rot. Bonds

About 4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine

4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine (PubChem CID 160611567) has the molecular formula C14H14F2N4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine.

Molecular Properties

Compound Name4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine
PubChem CID160611567
Molecular FormulaC14H14F2N4
Molecular Weight276.29 g/mol
Exact Mass276.12
IUPAC Name4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine
SMILES[H]/N=c1\c(C)c(F)c2c(=N/C)/c(=N/[H])c(C)c(F)c=2\c1=N\C
InChIInChI=1S/C14H14F2N4/c1-5-9(15)7-8(13(19-3)11(5)17)10(16)6(2)12(18)14(7)20-4/h17-18H,1-4H3/b17-11+,18-12+,19-13-,20-14-
InChIKeyRFOARHUGEWAISE-MIYNHGSZSA-N
XLogP0.20
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine?
The IUPAC name of 4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine (CID 160611567) is 4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine.
What is the SMILES notation for 4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine?
The canonical SMILES for 4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine is [H]/N=c1\c(C)c(F)c2c(=N/C)/c(=N/[H])c(C)c(F)c=2\c1=N\C.
What is the InChIKey of 4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine?
The InChIKey is RFOARHUGEWAISE-MIYNHGSZSA-N. The full InChI is InChI=1S/C14H14F2N4/c1-5-9(15)7-8(13(19-3)11(5)17)10(16)6(2)12(18)14(7)20-4/h17-18H,1-4H3/b17-11+,18-12+,19-13-,20-14-.
What are the key properties of 4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine?
4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine has a molecular weight of 276.29 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-difluoro-1-N,5-N,3,7-tetramethylnaphthalene-1,2,5,6-tetraimine is sourced from PubChem (CID 160611567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).