2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide

C8H10FNO — CID 143601210

IUPAC2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCC1=CC(C(N)=O)=C(F)CC1
InChIInChI=1S/C8H10FNO/c1-5-2-3-7(9)6(4-5)8(10)11/h4H,2-3H2,1H3,(H2,10,11)
InChIKeyRIWLRNRVPUNUKX-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.44
Rot. Bonds1

About 2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide

2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 143601210) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide
PubChem CID143601210
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCC1=CC(C(N)=O)=C(F)CC1
InChIInChI=1S/C8H10FNO/c1-5-2-3-7(9)6(4-5)8(10)11/h4H,2-3H2,1H3,(H2,10,11)
InChIKeyRIWLRNRVPUNUKX-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide (CID 143601210) is 2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide is CC1=CC(C(N)=O)=C(F)CC1.
What is the InChIKey of 2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is RIWLRNRVPUNUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-5-2-3-7(9)6(4-5)8(10)11/h4H,2-3H2,1H3,(H2,10,11).
What are the key properties of 2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide?
2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 155.17 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 143601210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).