1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene

C14H15F — CID 70140238

IUPAC1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene
SMILESCC1(C)C=CCC(c2ccccc2F)=C1
InChIInChI=1S/C14H15F/c1-14(2)9-5-6-11(10-14)12-7-3-4-8-13(12)15/h3-5,7-10H,6H2,1-2H3
InChIKeyULUCHEFAFAPFBY-UHFFFAOYSA-N
MW202.27 g/mol
LogP4.20
Rot. Bonds1

About 1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene

1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene (PubChem CID 70140238) has the molecular formula C14H15F and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene
PubChem CID70140238
Molecular FormulaC14H15F
Molecular Weight202.27 g/mol
Exact Mass202.12
IUPAC Name1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene
SMILESCC1(C)C=CCC(c2ccccc2F)=C1
InChIInChI=1S/C14H15F/c1-14(2)9-5-6-11(10-14)12-7-3-4-8-13(12)15/h3-5,7-10H,6H2,1-2H3
InChIKeyULUCHEFAFAPFBY-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene 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

1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene
CID 21261243
3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol
CID 65176869
1,4-bis(2-fluorophenyl)benzene
CID 58121760
4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol
CID 174312893
3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride
CID 68787865
3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid
CID 151683948
1-fluoro-2-(2-propylphenyl)benzene
CID 154059621
tris(2-fluorophenyl)sulfanium
CID 58332382
2-(2-fluorophenyl)-1,3-dimethylbenzene
CID 22075461
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056
1-fluoro-2-[4-methyl-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]benzene
CID 67799335
9,10-bis(2-fluorophenyl)anthracene
CID 101446406

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene?
The IUPAC name of 1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene (CID 70140238) is 1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene.
What is the SMILES notation for 1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene?
The canonical SMILES for 1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene is CC1(C)C=CCC(c2ccccc2F)=C1.
What is the InChIKey of 1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene?
The InChIKey is ULUCHEFAFAPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F/c1-14(2)9-5-6-11(10-14)12-7-3-4-8-13(12)15/h3-5,7-10H,6H2,1-2H3.
What are the key properties of 1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene?
1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene has a molecular weight of 202.27 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclohexa-1,4-dien-1-yl)-2-fluorobenzene is sourced from PubChem (CID 70140238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).