5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide

C8H10FNO — CID 129273137

IUPAC5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1=CC(C(N)=O)CC(F)=C1
InChIInChI=1S/C8H10FNO/c1-5-2-6(8(10)11)4-7(9)3-5/h2-3,6H,4H2,1H3,(H2,10,11)
InChIKeyOEEQYNVPPGFYBD-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.29
Rot. Bonds1

About 5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide

5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 129273137) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID129273137
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1=CC(C(N)=O)CC(F)=C1
InChIInChI=1S/C8H10FNO/c1-5-2-6(8(10)11)4-7(9)3-5/h2-3,6H,4H2,1H3,(H2,10,11)
InChIKeyOEEQYNVPPGFYBD-UHFFFAOYSA-N
XLogP1.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 18942709
2-Oxomethylenebenzamide
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CID 66970898
6-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 69241906
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide
CID 88586585
(4Z,6E)-6-fluoronona-4,6,8-trienamide
CID 88586588
4-fluoro-N-methoxycyclohexa-2,4-diene-1-carboxamide
CID 88968664
1-Fluorocyclohexa-2,4-diene-1-carboxamide
CID 90030120
(4E,6E)-7-fluoro-4-methylnona-4,6-dienamide
CID 126690279
2-(4-Fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 132159217
4-Fluoro-3-methylcyclohepta-2,4,5-triene-1-carboxamide
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2-(5-Fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide
CID 139765755

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide (CID 129273137) is 5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide is CC1=CC(C(N)=O)CC(F)=C1.
What is the InChIKey of 5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is OEEQYNVPPGFYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-5-2-6(8(10)11)4-7(9)3-5/h2-3,6H,4H2,1H3,(H2,10,11).
What are the key properties of 5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide?
5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 155.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 129273137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).