1,6-difluorocyclohexa-2,4-diene-1-carboxamide

C7H7F2NO — CID 151033511

IUPAC1,6-difluorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(F)C=CC=CC1F
InChIInChI=1S/C7H7F2NO/c8-5-3-1-2-4-7(5,9)6(10)11/h1-5H,(H2,10,11)
InChIKeyMAOKLUYVHFOUFG-UHFFFAOYSA-N
MW159.13 g/mol
LogP0.64
Rot. Bonds1

About 1,6-difluorocyclohexa-2,4-diene-1-carboxamide

1,6-difluorocyclohexa-2,4-diene-1-carboxamide (PubChem CID 151033511) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 1,6-difluorocyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1,6-difluorocyclohexa-2,4-diene-1-carboxamide
PubChem CID151033511
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name1,6-difluorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(F)C=CC=CC1F
InChIInChI=1S/C7H7F2NO/c8-5-3-1-2-4-7(5,9)6(10)11/h1-5H,(H2,10,11)
InChIKeyMAOKLUYVHFOUFG-UHFFFAOYSA-N
XLogP0.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 50.64
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
6-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 69241906
1-Fluorocyclohexa-2,4-diene-1-carboxamide
CID 90030120
2-(4-Fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 132159217
(3Z,5E)-3-ethenyl-5,8-difluoronona-3,5-dienamide
CID 145356893
1,3-Difluorocyclohexa-2,4-diene-1-carbonyl isocyanate
CID 149653090
1,3,4,5,6-Pentafluorocyclohexa-2,4-diene-1-carboxamide
CID 150227456
1,4-Difluorocyclohexa-2,4-diene-1-carboxamide
CID 151722609
6-Fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 152023051
6-Fluoro-1-methylcyclohexa-2,4-diene-1-carboxamide
CID 152158504
1,2-Difluorocyclohexa-2,4-diene-1-carboxamide
CID 152634336

Frequently Asked Questions

What is the IUPAC name of 1,6-difluorocyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1,6-difluorocyclohexa-2,4-diene-1-carboxamide (CID 151033511) is 1,6-difluorocyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1,6-difluorocyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1,6-difluorocyclohexa-2,4-diene-1-carboxamide is NC(=O)C1(F)C=CC=CC1F.
What is the InChIKey of 1,6-difluorocyclohexa-2,4-diene-1-carboxamide?
The InChIKey is MAOKLUYVHFOUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c8-5-3-1-2-4-7(5,9)6(10)11/h1-5H,(H2,10,11).
What are the key properties of 1,6-difluorocyclohexa-2,4-diene-1-carboxamide?
1,6-difluorocyclohexa-2,4-diene-1-carboxamide has a molecular weight of 159.13 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluorocyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 151033511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).