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

C8H10FNO — CID 173228967

IUPAC4-fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1(C(N)=O)C=CC(F)=CC1
InChIInChI=1S/C8H10FNO/c1-8(7(10)11)4-2-6(9)3-5-8/h2-4H,5H2,1H3,(H2,10,11)
InChIKeyVMNCNITWNAKYTC-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.29
Rot. Bonds1

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

4-fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 173228967) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 4-fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID173228967
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name4-fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1(C(N)=O)C=CC(F)=CC1
InChIInChI=1S/C8H10FNO/c1-8(7(10)11)4-2-6(9)3-5-8/h2-4H,5H2,1H3,(H2,10,11)
InChIKeyVMNCNITWNAKYTC-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

6-Methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 66970898
1-(1,1,1-Trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
CID 67216695
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
1-Fluorocyclohexa-2,4-diene-1-carboxamide
CID 90030120
1-(1,1,1-Trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
CID 122604384
5-Fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide
CID 129273137
2-(4-Fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 132159217
(3Z,5E)-3-ethenyl-5,8-difluoronona-3,5-dienamide
CID 145356893
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 4-fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 4-fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide (CID 173228967) is 4-fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 4-fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 4-fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide is CC1(C(N)=O)C=CC(F)=CC1.
What is the InChIKey of 4-fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is VMNCNITWNAKYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-8(7(10)11)4-2-6(9)3-5-8/h2-4H,5H2,1H3,(H2,10,11).
What are the key properties of 4-fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide?
4-fluoro-1-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 4-fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 173228967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).