6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide

C11H16FNO — CID 122604237

IUPAC6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)(C)C1(F)C=CC=CC1C(N)=O
InChIInChI=1S/C11H16FNO/c1-10(2,3)11(12)7-5-4-6-8(11)9(13)14/h4-8H,1-3H3,(H2,13,14)
InChIKeyUBSZKWJPNITZFA-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.97
Rot. Bonds1

About 6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide

6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide (PubChem CID 122604237) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
PubChem CID122604237
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)(C)C1(F)C=CC=CC1C(N)=O
InChIInChI=1S/C11H16FNO/c1-10(2,3)11(12)7-5-4-6-8(11)9(13)14/h4-8H,1-3H3,(H2,13,14)
InChIKeyUBSZKWJPNITZFA-UHFFFAOYSA-N
XLogP1.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-Diethyltoluamide
CID 70571702
6-Cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 66666374
6-(Cyanomethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 66751824
6-Methyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 66970898
6-Cyclopropyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 67173455
1-(1,1,1-Trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
CID 67216695
6-Cyclopropyl-4,6-difluorocyclohexa-2,4-diene-1-carboxamide
CID 68949408
6-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 69241906
6-Ethyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 69543217
6-Ethyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 69708078
2-(6,6-Difluorocyclohexa-2,4-dien-1-yl)acetamide
CID 70416183
5,6-Dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 118163859

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide (CID 122604237) is 6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide is CC(C)(C)C1(F)C=CC=CC1C(N)=O.
What is the InChIKey of 6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The InChIKey is UBSZKWJPNITZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-10(2,3)11(12)7-5-4-6-8(11)9(13)14/h4-8H,1-3H3,(H2,13,14).
What are the key properties of 6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide?
6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide has a molecular weight of 197.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 122604237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).