2-fluorocyclohexa-1,3-diene-1-carboxamide

C7H8FNO — CID 123881103

IUPAC2-fluorocyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=C(F)C=CCC1
InChIInChI=1S/C7H8FNO/c8-6-4-2-1-3-5(6)7(9)10/h2,4H,1,3H2,(H2,9,10)
InChIKeyVADBSTHMHXRYTL-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.05
Rot. Bonds1

About 2-fluorocyclohexa-1,3-diene-1-carboxamide

2-fluorocyclohexa-1,3-diene-1-carboxamide (PubChem CID 123881103) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 2-fluorocyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name2-fluorocyclohexa-1,3-diene-1-carboxamide
PubChem CID123881103
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name2-fluorocyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=C(F)C=CCC1
InChIInChI=1S/C7H8FNO/c8-6-4-2-1-3-5(6)7(9)10/h2,4H,1,3H2,(H2,9,10)
InChIKeyVADBSTHMHXRYTL-UHFFFAOYSA-N
XLogP1.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluorocyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 2-fluorocyclohexa-1,3-diene-1-carboxamide (CID 123881103) is 2-fluorocyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 2-fluorocyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 2-fluorocyclohexa-1,3-diene-1-carboxamide is NC(=O)C1=C(F)C=CCC1.
What is the InChIKey of 2-fluorocyclohexa-1,3-diene-1-carboxamide?
The InChIKey is VADBSTHMHXRYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c8-6-4-2-1-3-5(6)7(9)10/h2,4H,1,3H2,(H2,9,10).
What are the key properties of 2-fluorocyclohexa-1,3-diene-1-carboxamide?
2-fluorocyclohexa-1,3-diene-1-carboxamide has a molecular weight of 141.14 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorocyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 123881103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).