2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine

C14H7F9N2 — CID 23265233

IUPAC2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine
SMILESCN(C)c1c(F)c(F)c(Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H7F9N2/c1-25(2)14-10(22)8(20)13(9(21)11(14)23)24-12-6(18)4(16)3(15)5(17)7(12)19/h24H,1-2H3
InChIKeyBCVABRYFVCTUAK-UHFFFAOYSA-N
MW374.21 g/mol
LogP4.75
Rot. Bonds3

About 2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine

2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine (PubChem CID 23265233) has the molecular formula C14H7F9N2 and a molecular weight of 374.21 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine
PubChem CID23265233
Molecular FormulaC14H7F9N2
Molecular Weight374.21 g/mol
Exact Mass374.05
IUPAC Name2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine
SMILESCN(C)c1c(F)c(F)c(Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H7F9N2/c1-25(2)14-10(22)8(20)13(9(21)11(14)23)24-12-6(18)4(16)3(15)5(17)7(12)19/h24H,1-2H3
InChIKeyBCVABRYFVCTUAK-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine (CID 23265233) is 2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine is CN(C)c1c(F)c(F)c(Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine?
The InChIKey is BCVABRYFVCTUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F9N2/c1-25(2)14-10(22)8(20)13(9(21)11(14)23)24-12-6(18)4(16)3(15)5(17)7(12)19/h24H,1-2H3.
What are the key properties of 2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine?
2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine has a molecular weight of 374.21 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-N,4-N-dimethyl-1-N-(2,3,4,5,6-pentafluorophenyl)benzene-1,4-diamine is sourced from PubChem (CID 23265233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).