1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide

C7H4F5NO — CID 150227456

IUPAC1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(F)C=C(F)C(F)=C(F)C1F
InChIInChI=1S/C7H4F5NO/c8-2-1-7(12,6(13)14)5(11)4(10)3(2)9/h1,5H,(H2,13,14)
InChIKeyFUTLCSVXFQYGFB-UHFFFAOYSA-N
MW213.11 g/mol
LogP1.54
Rot. Bonds1

About 1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide

1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide (PubChem CID 150227456) has the molecular formula C7H4F5NO and a molecular weight of 213.11 g/mol. Its IUPAC name is 1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide
PubChem CID150227456
Molecular FormulaC7H4F5NO
Molecular Weight213.11 g/mol
Exact Mass213.02
IUPAC Name1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(F)C=C(F)C(F)=C(F)C1F
InChIInChI=1S/C7H4F5NO/c8-2-1-7(12,6(13)14)5(11)4(10)3(2)9/h1,5H,(H2,13,14)
InChIKeyFUTLCSVXFQYGFB-UHFFFAOYSA-N
XLogP1.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-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 1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide (CID 150227456) is 1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide is NC(=O)C1(F)C=C(F)C(F)=C(F)C1F.
What is the InChIKey of 1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide?
The InChIKey is FUTLCSVXFQYGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO/c8-2-1-7(12,6(13)14)5(11)4(10)3(2)9/h1,5H,(H2,13,14).
What are the key properties of 1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide?
1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide has a molecular weight of 213.11 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 150227456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).