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

C18H6F10N2 — CID 18328537

IUPAC1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine
SMILESFc1c(F)c(F)c(Nc2ccccc2Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18H6F10N2/c19-7-9(21)13(25)17(14(26)10(7)22)29-5-3-1-2-4-6(5)30-18-15(27)11(23)8(20)12(24)16(18)28/h1-4,29-30H
InChIKeyMVONRBBJTUSWOC-UHFFFAOYSA-N
MW440.24 g/mol
LogP6.56
Rot. Bonds4

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

1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine (PubChem CID 18328537) has the molecular formula C18H6F10N2 and a molecular weight of 440.24 g/mol. Its IUPAC name is 1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine
PubChem CID18328537
Molecular FormulaC18H6F10N2
Molecular Weight440.24 g/mol
Exact Mass440.04
IUPAC Name1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine
SMILESFc1c(F)c(F)c(Nc2ccccc2Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18H6F10N2/c19-7-9(21)13(25)17(14(26)10(7)22)29-5-3-1-2-4-6(5)30-18-15(27)11(23)8(20)12(24)16(18)28/h1-4,29-30H
InChIKeyMVONRBBJTUSWOC-UHFFFAOYSA-N
XLogP6.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.24
LogP ≤ 56.56
H-Bond Donors ≤ 52
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'}

Analyze 1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine (CID 18328537) is 1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine is Fc1c(F)c(F)c(Nc2ccccc2Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine?
The InChIKey is MVONRBBJTUSWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6F10N2/c19-7-9(21)13(25)17(14(26)10(7)22)29-5-3-1-2-4-6(5)30-18-15(27)11(23)8(20)12(24)16(18)28/h1-4,29-30H.
What are the key properties of 1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine?
1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine has a molecular weight of 440.24 g/mol, XLogP of 6.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 18328537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).