3-fluorocyclopenta-2,4-diene-1-carboxamide

C6H6FNO — CID 170271404

IUPAC3-fluorocyclopenta-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC(F)=C1
InChIInChI=1S/C6H6FNO/c7-5-2-1-4(3-5)6(8)9/h1-4H,(H2,8,9)
InChIKeyVDWFAFOXAHFZHA-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.51
Rot. Bonds1

About 3-fluorocyclopenta-2,4-diene-1-carboxamide

3-fluorocyclopenta-2,4-diene-1-carboxamide (PubChem CID 170271404) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 3-fluorocyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name3-fluorocyclopenta-2,4-diene-1-carboxamide
PubChem CID170271404
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name3-fluorocyclopenta-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC(F)=C1
InChIInChI=1S/C6H6FNO/c7-5-2-1-4(3-5)6(8)9/h1-4H,(H2,8,9)
InChIKeyVDWFAFOXAHFZHA-UHFFFAOYSA-N
XLogP0.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluorocyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of 3-fluorocyclopenta-2,4-diene-1-carboxamide (CID 170271404) is 3-fluorocyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for 3-fluorocyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for 3-fluorocyclopenta-2,4-diene-1-carboxamide is NC(=O)C1C=CC(F)=C1.
What is the InChIKey of 3-fluorocyclopenta-2,4-diene-1-carboxamide?
The InChIKey is VDWFAFOXAHFZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c7-5-2-1-4(3-5)6(8)9/h1-4H,(H2,8,9).
What are the key properties of 3-fluorocyclopenta-2,4-diene-1-carboxamide?
3-fluorocyclopenta-2,4-diene-1-carboxamide has a molecular weight of 127.12 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorocyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 170271404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).