6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide

C8H10FNO — CID 69241906

IUPAC6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1(F)C=CC=CC1C(N)=O
InChIInChI=1S/C8H10FNO/c1-8(9)5-3-2-4-6(8)7(10)11/h2-6H,1H3,(H2,10,11)
InChIKeyPXZQIJGAFYCVLJ-UHFFFAOYSA-N
MW155.17 g/mol
LogP0.94
Rot. Bonds1

About 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide

6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 69241906) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID69241906
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1(F)C=CC=CC1C(N)=O
InChIInChI=1S/C8H10FNO/c1-8(9)5-3-2-4-6(8)7(10)11/h2-6H,1H3,(H2,10,11)
InChIKeyPXZQIJGAFYCVLJ-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dihydrobenzoylamine
CID 18942709
8-Decatrienamide
CID 129848103
2-Oxomethylenebenzamide
CID 129851024
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-Ethyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 69708078
(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
6-Cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 118384309
6-Tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 122604237

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide (CID 69241906) is 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide is CC1(F)C=CC=CC1C(N)=O.
What is the InChIKey of 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is PXZQIJGAFYCVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-8(9)5-3-2-4-6(8)7(10)11/h2-6H,1H3,(H2,10,11).
What are the key properties of 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide?
6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 155.17 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 69241906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).