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

C7H8FNO — CID 90030120

IUPAC1-fluorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(F)C=CC=CC1
InChIInChI=1S/C7H8FNO/c8-7(6(9)10)4-2-1-3-5-7/h1-4H,5H2,(H2,9,10)
InChIKeyYTZOSEHESPCSPH-UHFFFAOYSA-N
MW141.14 g/mol
LogP0.70
Rot. Bonds1

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

1-fluorocyclohexa-2,4-diene-1-carboxamide (PubChem CID 90030120) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 1-fluorocyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-fluorocyclohexa-2,4-diene-1-carboxamide
PubChem CID90030120
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name1-fluorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(F)C=CC=CC1
InChIInChI=1S/C7H8FNO/c8-7(6(9)10)4-2-1-3-5-7/h1-4H,5H2,(H2,9,10)
InChIKeyYTZOSEHESPCSPH-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dihydrobenzoylamine
CID 18942709
6-Chloro-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 67305090
1-Amino-3-fluorocyclohexa-2,4-diene-1-carboxamide
CID 68911394
6-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 69241906
(4Z,6E)-6-fluoronona-4,6,8-trienamide
CID 88586588
5-Fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide
CID 129273137
2-(4-Fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 132159217
6-Amino-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 141518785
(3Z,5E)-3-ethenyl-5,8-difluoronona-3,5-dienamide
CID 145356893
1,3,4,5,6-Pentafluorocyclohexa-2,4-diene-1-carboxamide
CID 150227456
1,6-Difluorocyclohexa-2,4-diene-1-carboxamide
CID 151033511
2-Fluoro-1,6-dimethylcyclohexa-2,4-diene-1-carboxamide
CID 151036453

Frequently Asked Questions

What is the IUPAC name of 1-fluorocyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-fluorocyclohexa-2,4-diene-1-carboxamide (CID 90030120) is 1-fluorocyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-fluorocyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-fluorocyclohexa-2,4-diene-1-carboxamide is NC(=O)C1(F)C=CC=CC1.
What is the InChIKey of 1-fluorocyclohexa-2,4-diene-1-carboxamide?
The InChIKey is YTZOSEHESPCSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c8-7(6(9)10)4-2-1-3-5-7/h1-4H,5H2,(H2,9,10).
What are the key properties of 1-fluorocyclohexa-2,4-diene-1-carboxamide?
1-fluorocyclohexa-2,4-diene-1-carboxamide has a molecular weight of 141.14 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 90030120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).