[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide

C14H6F9N2- — CID 23265232

IUPAC[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide
SMILESCN(C)c1c(F)c(F)c([N-]c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H6F9N2/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/h1-2H3/q-1
InChIKeyPYSABQKGEPIUFO-UHFFFAOYSA-N
MW373.20 g/mol
LogP5.34
Rot. Bonds3

About [4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide

[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide (PubChem CID 23265232) has the molecular formula C14H6F9N2- and a molecular weight of 373.20 g/mol. Its IUPAC name is [4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide.

Molecular Properties

Compound Name[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide
PubChem CID23265232
Molecular FormulaC14H6F9N2-
Molecular Weight373.20 g/mol
Exact Mass373.04
IUPAC Name[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide
SMILESCN(C)c1c(F)c(F)c([N-]c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H6F9N2/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/h1-2H3/q-1
InChIKeyPYSABQKGEPIUFO-UHFFFAOYSA-N
XLogP5.34
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.20
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide?
The IUPAC name of [4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide (CID 23265232) is [4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide.
What is the SMILES notation for [4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide?
The canonical SMILES for [4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide is CN(C)c1c(F)c(F)c([N-]c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of [4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide?
The InChIKey is PYSABQKGEPIUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F9N2/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/h1-2H3/q-1.
What are the key properties of [4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide?
[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide has a molecular weight of 373.20 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-(2,3,4,5,6-pentafluorophenyl)azanide is sourced from PubChem (CID 23265232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).