1-(2-ethyl-2-propylpentyl)-4-fluorobenzene

C16H25F — CID 130370949

IUPAC1-(2-ethyl-2-propylpentyl)-4-fluorobenzene
SMILESCCCC(CC)(CCC)Cc1ccc(F)cc1
InChIInChI=1S/C16H25F/c1-4-11-16(6-3,12-5-2)13-14-7-9-15(17)10-8-14/h7-10H,4-6,11-13H2,1-3H3
InChIKeyCPXDJBYTECONIW-UHFFFAOYSA-N
MW236.37 g/mol
LogP5.36
Rot. Bonds7

About 1-(2-ethyl-2-propylpentyl)-4-fluorobenzene

1-(2-ethyl-2-propylpentyl)-4-fluorobenzene (PubChem CID 130370949) has the molecular formula C16H25F and a molecular weight of 236.37 g/mol. Its IUPAC name is 1-(2-ethyl-2-propylpentyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(2-ethyl-2-propylpentyl)-4-fluorobenzene
PubChem CID130370949
Molecular FormulaC16H25F
Molecular Weight236.37 g/mol
Exact Mass236.19
IUPAC Name1-(2-ethyl-2-propylpentyl)-4-fluorobenzene
SMILESCCCC(CC)(CCC)Cc1ccc(F)cc1
InChIInChI=1S/C16H25F/c1-4-11-16(6-3,12-5-2)13-14-7-9-15(17)10-8-14/h7-10H,4-6,11-13H2,1-3H3
InChIKeyCPXDJBYTECONIW-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.37
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2-ethyl-2-propylpentyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-propylpentyl)-4-fluorobenzene?
The IUPAC name of 1-(2-ethyl-2-propylpentyl)-4-fluorobenzene (CID 130370949) is 1-(2-ethyl-2-propylpentyl)-4-fluorobenzene.
What is the SMILES notation for 1-(2-ethyl-2-propylpentyl)-4-fluorobenzene?
The canonical SMILES for 1-(2-ethyl-2-propylpentyl)-4-fluorobenzene is CCCC(CC)(CCC)Cc1ccc(F)cc1.
What is the InChIKey of 1-(2-ethyl-2-propylpentyl)-4-fluorobenzene?
The InChIKey is CPXDJBYTECONIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F/c1-4-11-16(6-3,12-5-2)13-14-7-9-15(17)10-8-14/h7-10H,4-6,11-13H2,1-3H3.
What are the key properties of 1-(2-ethyl-2-propylpentyl)-4-fluorobenzene?
1-(2-ethyl-2-propylpentyl)-4-fluorobenzene has a molecular weight of 236.37 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-propylpentyl)-4-fluorobenzene is sourced from PubChem (CID 130370949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).