4-fluorocyclohexa-1,3-diene-1-carboxamide

C7H8FNO — CID 22238835

IUPAC4-fluorocyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC=C(F)CC1
InChIInChI=1S/C7H8FNO/c8-6-3-1-5(2-4-6)7(9)10/h1,3H,2,4H2,(H2,9,10)
InChIKeyGRCHRBNSXXQMFU-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.05
Rot. Bonds1

About 4-fluorocyclohexa-1,3-diene-1-carboxamide

4-fluorocyclohexa-1,3-diene-1-carboxamide (PubChem CID 22238835) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 4-fluorocyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-fluorocyclohexa-1,3-diene-1-carboxamide
PubChem CID22238835
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name4-fluorocyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC=C(F)CC1
InChIInChI=1S/C7H8FNO/c8-6-3-1-5(2-4-6)7(9)10/h1,3H,2,4H2,(H2,9,10)
InChIKeyGRCHRBNSXXQMFU-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 4-fluorocyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-fluorocyclohexa-1,3-diene-1-carboxamide (CID 22238835) is 4-fluorocyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-fluorocyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-fluorocyclohexa-1,3-diene-1-carboxamide is NC(=O)C1=CC=C(F)CC1.
What is the InChIKey of 4-fluorocyclohexa-1,3-diene-1-carboxamide?
The InChIKey is GRCHRBNSXXQMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c8-6-3-1-5(2-4-6)7(9)10/h1,3H,2,4H2,(H2,9,10).
What are the key properties of 4-fluorocyclohexa-1,3-diene-1-carboxamide?
4-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 4-fluorocyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 22238835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).