ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene

C10H17F — CID 144993516

IUPACethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene
SMILESCC.CC1C=CC(F)=CC1C
InChIInChI=1S/C8H11F.C2H6/c1-6-3-4-8(9)5-7(6)2;1-2/h3-7H,1-2H3;1-2H3
InChIKeyNRTGWWJSIIRGLZ-UHFFFAOYSA-N
MW156.24 g/mol
LogP3.71
Rot. Bonds

About ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene

ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene (PubChem CID 144993516) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene
PubChem CID144993516
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Nameethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene
SMILESCC.CC1C=CC(F)=CC1C
InChIInChI=1S/C8H11F.C2H6/c1-6-3-4-8(9)5-7(6)2;1-2/h3-7H,1-2H3;1-2H3
InChIKeyNRTGWWJSIIRGLZ-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-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

5-(chloromethyl)-2-fluoro-6-methylcyclohexa-1,3-diene
CID 141133416
(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-amine
CID 164736851
2,3-difluoro-5,6-dimethylcyclohexa-1,3-diene
CID 154525018
1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine
CID 154541137
4-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)benzaldehyde
CID 172566196
(E)-1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-2-methylbut-2-en-1-amine
CID 143371488
2-fluoro-6-methylcyclohexa-1,3-diene
CID 19795139
1-(3,4-dimethylcyclohexa-1,5-dien-1-yl)ethanone
CID 89336336
3,4-dimethylcyclohexa-1,5-diene-1-sulfinic acid
CID 147676274
2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
CID 143792431
3,4-dimethylcyclohexa-1,5-diene-1-sulfonic acid;methane
CID 158241854
1-(3,6-difluorocyclohexa-2,4-dien-1-yl)ethanone
CID 163586256

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene (CID 144993516) is ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene is CC.CC1C=CC(F)=CC1C.
What is the InChIKey of ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene?
The InChIKey is NRTGWWJSIIRGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F.C2H6/c1-6-3-4-8(9)5-7(6)2;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene?
ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene has a molecular weight of 156.24 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 144993516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).