6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide

C8H7FN2O — CID 118384309

IUPAC6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide
SMILESN#CC1(F)C=CC=CC1C(N)=O
InChIInChI=1S/C8H7FN2O/c9-8(5-10)4-2-1-3-6(8)7(11)12/h1-4,6H,(H2,11,12)
InChIKeyFTBSQPQZAYVGBO-UHFFFAOYSA-N
MW166.15 g/mol
LogP0.45
Rot. Bonds1

About 6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide

6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide (PubChem CID 118384309) has the molecular formula C8H7FN2O and a molecular weight of 166.15 g/mol. Its IUPAC name is 6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide
PubChem CID118384309
Molecular FormulaC8H7FN2O
Molecular Weight166.15 g/mol
Exact Mass166.05
IUPAC Name6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide
SMILESN#CC1(F)C=CC=CC1C(N)=O
InChIInChI=1S/C8H7FN2O/c9-8(5-10)4-2-1-3-6(8)7(11)12/h1-4,6H,(H2,11,12)
InChIKeyFTBSQPQZAYVGBO-UHFFFAOYSA-N
XLogP0.45
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(Cyanomethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 66751824
6-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 69241906
6-(1-Cyanoethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 154927936
2-Cyano-2-(1lambda3-bromacyclohexa-1,3,5-trien-2-yl)acetamide
CID 142751345
(6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 146333409
1-Cyano-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 176207842
6-Cyano-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 176344340
2-Cyano-2-cyclohepta-2,4,6-trien-1-ylacetamide
CID 129937012

Frequently Asked Questions

What is the IUPAC name of 6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide (CID 118384309) is 6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide is N#CC1(F)C=CC=CC1C(N)=O.
What is the InChIKey of 6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The InChIKey is FTBSQPQZAYVGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c9-8(5-10)4-2-1-3-6(8)7(11)12/h1-4,6H,(H2,11,12).
What are the key properties of 6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide?
6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide has a molecular weight of 166.15 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 118384309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).