5,6,7,8-tetrafluoronaphthalene-2-carboxamide

C11H5F4NO — CID 139194338

IUPAC5,6,7,8-tetrafluoronaphthalene-2-carboxamide
SMILESNC(=O)c1ccc2c(F)c(F)c(F)c(F)c2c1
InChIInChI=1S/C11H5F4NO/c12-7-5-2-1-4(11(16)17)3-6(5)8(13)10(15)9(7)14/h1-3H,(H2,16,17)
InChIKeyHXNIKMQCPPEJPI-UHFFFAOYSA-N
MW243.16 g/mol
LogP2.50
Rot. Bonds1

About 5,6,7,8-tetrafluoronaphthalene-2-carboxamide

5,6,7,8-tetrafluoronaphthalene-2-carboxamide (PubChem CID 139194338) has the molecular formula C11H5F4NO and a molecular weight of 243.16 g/mol. Its IUPAC name is 5,6,7,8-tetrafluoronaphthalene-2-carboxamide.

Molecular Properties

Compound Name5,6,7,8-tetrafluoronaphthalene-2-carboxamide
PubChem CID139194338
Molecular FormulaC11H5F4NO
Molecular Weight243.16 g/mol
Exact Mass243.03
IUPAC Name5,6,7,8-tetrafluoronaphthalene-2-carboxamide
SMILESNC(=O)c1ccc2c(F)c(F)c(F)c(F)c2c1
InChIInChI=1S/C11H5F4NO/c12-7-5-2-1-4(11(16)17)3-6(5)8(13)10(15)9(7)14/h1-3H,(H2,16,17)
InChIKeyHXNIKMQCPPEJPI-UHFFFAOYSA-N
XLogP2.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 52.50
H-Bond Donors ≤ 51
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'}

Analyze 5,6,7,8-tetrafluoronaphthalene-2-carboxamide 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 5,6,7,8-tetrafluoronaphthalene-2-carboxamide?
The IUPAC name of 5,6,7,8-tetrafluoronaphthalene-2-carboxamide (CID 139194338) is 5,6,7,8-tetrafluoronaphthalene-2-carboxamide.
What is the SMILES notation for 5,6,7,8-tetrafluoronaphthalene-2-carboxamide?
The canonical SMILES for 5,6,7,8-tetrafluoronaphthalene-2-carboxamide is NC(=O)c1ccc2c(F)c(F)c(F)c(F)c2c1.
What is the InChIKey of 5,6,7,8-tetrafluoronaphthalene-2-carboxamide?
The InChIKey is HXNIKMQCPPEJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F4NO/c12-7-5-2-1-4(11(16)17)3-6(5)8(13)10(15)9(7)14/h1-3H,(H2,16,17).
What are the key properties of 5,6,7,8-tetrafluoronaphthalene-2-carboxamide?
5,6,7,8-tetrafluoronaphthalene-2-carboxamide has a molecular weight of 243.16 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrafluoronaphthalene-2-carboxamide is sourced from PubChem (CID 139194338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).