1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene

C13H17F — CID 54122402

IUPAC1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene
SMILESC=CCC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H17F/c1-4-9-13(2,3)10-11-5-7-12(14)8-6-11/h4-8H,1,9-10H2,2-3H3
InChIKeyNYYXEACLNGYRMG-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.97
Rot. Bonds4

About 1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene

1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene (PubChem CID 54122402) has the molecular formula C13H17F and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene
PubChem CID54122402
Molecular FormulaC13H17F
Molecular Weight192.28 g/mol
Exact Mass192.13
IUPAC Name1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene
SMILESC=CCC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H17F/c1-4-9-13(2,3)10-11-5-7-12(14)8-6-11/h4-8H,1,9-10H2,2-3H3
InChIKeyNYYXEACLNGYRMG-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2,2-dimethylpent-4-enyl)-4-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-(2,2-dimethylpent-4-enyl)-4-methylbenzene
CID 20825972
1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
CID 143051679
2-(4-fluorophenyl)pent-4-en-2-amine
CID 130060488
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol
CID 82112185
2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640274
1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene
CID 54242734
3-(4-fluorophenyl)-2,2-dimethylpropanal
CID 12814764
1-fluoro-4-prop-2-enylbenzene;methanamine
CID 143096990
4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034537
1-fluoro-4-(2,2,3-trimethylbutyl)benzene
CID 59019242
2-ethyl-2-[(4-fluorophenyl)methyl]butanenitrile
CID 82111083

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene?
The IUPAC name of 1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene (CID 54122402) is 1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene.
What is the SMILES notation for 1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene?
The canonical SMILES for 1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene is C=CCC(C)(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene?
The InChIKey is NYYXEACLNGYRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F/c1-4-9-13(2,3)10-11-5-7-12(14)8-6-11/h4-8H,1,9-10H2,2-3H3.
What are the key properties of 1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene?
1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene has a molecular weight of 192.28 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene is sourced from PubChem (CID 54122402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).