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

C10H8F5NO — CID 68941080

IUPAC6-cyclopropyl-2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C(F)=C(F)C(F)=C(F)C1(F)C1CC1
InChIInChI=1S/C10H8F5NO/c11-5-4(9(16)17)10(15,3-1-2-3)8(14)7(13)6(5)12/h3-4H,1-2H2,(H2,16,17)
InChIKeyIOUYXOZPCJIPPU-UHFFFAOYSA-N
MW253.17 g/mol
LogP2.52
Rot. Bonds2

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

6-cyclopropyl-2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide (PubChem CID 68941080) has the molecular formula C10H8F5NO and a molecular weight of 253.17 g/mol. Its IUPAC name is 6-cyclopropyl-2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide
PubChem CID68941080
Molecular FormulaC10H8F5NO
Molecular Weight253.17 g/mol
Exact Mass253.05
IUPAC Name6-cyclopropyl-2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C(F)=C(F)C(F)=C(F)C1(F)C1CC1
InChIInChI=1S/C10H8F5NO/c11-5-4(9(16)17)10(15,3-1-2-3)8(14)7(13)6(5)12/h3-4H,1-2H2,(H2,16,17)
InChIKeyIOUYXOZPCJIPPU-UHFFFAOYSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-cyclopropyl-2,3,4,5,6-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 6-cyclopropyl-2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-cyclopropyl-2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide (CID 68941080) is 6-cyclopropyl-2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-cyclopropyl-2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-cyclopropyl-2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide is NC(=O)C1C(F)=C(F)C(F)=C(F)C1(F)C1CC1.
What is the InChIKey of 6-cyclopropyl-2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide?
The InChIKey is IOUYXOZPCJIPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO/c11-5-4(9(16)17)10(15,3-1-2-3)8(14)7(13)6(5)12/h3-4H,1-2H2,(H2,16,17).
What are the key properties of 6-cyclopropyl-2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide?
6-cyclopropyl-2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide has a molecular weight of 253.17 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2,3,4,5,6-pentafluorocyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 68941080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).