1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene

C9H9F — CID 134898023

IUPAC1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene
SMILESC=c1cc(F)c(=C)cc1C
InChIInChI=1S/C9H9F/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,2-3H2,1H3
InChIKeyYHOCBLOUSHSECK-UHFFFAOYSA-N
MW136.17 g/mol
LogP0.95
Rot. Bonds

About 1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene

1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene (PubChem CID 134898023) has the molecular formula C9H9F and a molecular weight of 136.17 g/mol. Its IUPAC name is 1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene
PubChem CID134898023
Molecular FormulaC9H9F
Molecular Weight136.17 g/mol
Exact Mass136.07
IUPAC Name1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene
SMILESC=c1cc(F)c(=C)cc1C
InChIInChI=1S/C9H9F/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,2-3H2,1H3
InChIKeyYHOCBLOUSHSECK-UHFFFAOYSA-N
XLogP0.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene with MolForge

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

Launch Full Analysis

Related Compounds

2-Methyl-1,3-cyclohexadiene
CID 73885
Mentha-1,4,8-triene
CID 527141
1,3-Cyclohexadiene, 1,4-dimethyl-
CID 141267
2,4-Hexadiene, 3,4-dimethyl-, (E,Z)-
CID 5368977
(E,E)-2,4-Hexadiene, 3,4-dimethyl-
CID 5462959
(E)-2,4-Hexadiene, 2,4-dimethyl-
CID 5463557
1,2,3-Trimethylcyclopentadiene
CID 138063
(2-Methylprop-1-enyl)-cyclohexa-1,3-diene
CID 523863
2,6-Dimethyl-1,3,6-heptatriene
CID 5368331
Mesitylcopper(I)
CID 12639866
5,6,6,7,7,8,8,8-Octafluoro-2-methylocta-2,4-diene
CID 71429349
1,3-Dimethyldihydrobenzene
CID 138296

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene?
The IUPAC name of 1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene (CID 134898023) is 1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene?
The canonical SMILES for 1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene is C=c1cc(F)c(=C)cc1C.
What is the InChIKey of 1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene?
The InChIKey is YHOCBLOUSHSECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,2-3H2,1H3.
What are the key properties of 1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene?
1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene has a molecular weight of 136.17 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene is sourced from PubChem (CID 134898023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).