4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide

C9H12FNO — CID 91584128

IUPAC4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1=C(F)CC(C)C(C(N)=O)=C1
InChIInChI=1S/C9H12FNO/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3,5H,4H2,1-2H3,(H2,11,12)
InChIKeyQTCDSLRSZNBVQT-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.68
Rot. Bonds1

About 4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide

4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 91584128) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide
PubChem CID91584128
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1=C(F)CC(C)C(C(N)=O)=C1
InChIInChI=1S/C9H12FNO/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3,5H,4H2,1-2H3,(H2,11,12)
InChIKeyQTCDSLRSZNBVQT-UHFFFAOYSA-N
XLogP1.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isobutyl-(e,e)-2,4-decadienamide
CID 155926334
6-Fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 59865792
5,6-Diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
CID 69287101
5,6-Dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 118163859
7-Ethyl-4-[2-(3-fluorocycloocta-1,3,5-trien-1-yl)ethynyl]cyclohepta-1,3,5-triene-1-carboxamide
CID 123144799
2-Fluorocyclohexa-1,3-diene-1-carboxamide
CID 123881103
3-Fluoro-6-propan-2-ylcyclohexa-1,3-diene-1-carboxamide
CID 126727974
6-Fluorocyclohexa-1,3-diene-1-carboxamide
CID 129132598
3,4-Difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide
CID 129145005
6-Ethyl-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxamide
CID 130384223
5-Ethyl-4-fluoro-6-methylcyclohexa-1,3-diene-1-carboxamide
CID 130384225
5,6-Bis(but-2-ynyl)-5-fluorocyclohexa-1,3-diene-1-carboxamide
CID 134324180

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide (CID 91584128) is 4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide is CC1=C(F)CC(C)C(C(N)=O)=C1.
What is the InChIKey of 4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is QTCDSLRSZNBVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3,5H,4H2,1-2H3,(H2,11,12).
What are the key properties of 4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide?
4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 169.20 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 91584128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).