6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

C8H7F4NO — CID 59865792

IUPAC6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC=CC(C(F)(F)F)C1F
InChIInChI=1S/C8H7F4NO/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3,5-6H,(H2,13,14)
InChIKeyUDJLZDRZUVYVBY-UHFFFAOYSA-N
MW209.14 g/mol
LogP1.48
Rot. Bonds1

About 6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 59865792) has the molecular formula C8H7F4NO and a molecular weight of 209.14 g/mol. Its IUPAC name is 6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID59865792
Molecular FormulaC8H7F4NO
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC Name6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC=CC(C(F)(F)F)C1F
InChIInChI=1S/C8H7F4NO/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3,5-6H,(H2,13,14)
InChIKeyUDJLZDRZUVYVBY-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (CID 59865792) is 6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is NC(=O)C1=CC=CC(C(F)(F)F)C1F.
What is the InChIKey of 6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is UDJLZDRZUVYVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3,5-6H,(H2,13,14).
What are the key properties of 6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 209.14 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 59865792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).