ethane;2,3,5,6-tetrafluoroaniline

C8H9F4N — CID 154678720

IUPACethane;2,3,5,6-tetrafluoroaniline
SMILESCC.Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C6H3F4N.C2H6/c7-2-1-3(8)5(10)6(11)4(2)9;1-2/h1H,11H2;1-2H3
InChIKeyRKQRVVDQXRFYOM-UHFFFAOYSA-N
MW195.16 g/mol
LogP2.85
Rot. Bonds

About ethane;2,3,5,6-tetrafluoroaniline

ethane;2,3,5,6-tetrafluoroaniline (PubChem CID 154678720) has the molecular formula C8H9F4N and a molecular weight of 195.16 g/mol. Its IUPAC name is ethane;2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound Nameethane;2,3,5,6-tetrafluoroaniline
PubChem CID154678720
Molecular FormulaC8H9F4N
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Nameethane;2,3,5,6-tetrafluoroaniline
SMILESCC.Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C6H3F4N.C2H6/c7-2-1-3(8)5(10)6(11)4(2)9;1-2/h1H,11H2;1-2H3
InChIKeyRKQRVVDQXRFYOM-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;2,3,5,6-tetrafluoroaniline 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 ethane;2,3,5,6-tetrafluoroaniline?
The IUPAC name of ethane;2,3,5,6-tetrafluoroaniline (CID 154678720) is ethane;2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for ethane;2,3,5,6-tetrafluoroaniline?
The canonical SMILES for ethane;2,3,5,6-tetrafluoroaniline is CC.Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of ethane;2,3,5,6-tetrafluoroaniline?
The InChIKey is RKQRVVDQXRFYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4N.C2H6/c7-2-1-3(8)5(10)6(11)4(2)9;1-2/h1H,11H2;1-2H3.
What are the key properties of ethane;2,3,5,6-tetrafluoroaniline?
ethane;2,3,5,6-tetrafluoroaniline has a molecular weight of 195.16 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 154678720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).