4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene

C16H16ClF — CID 58049383

IUPAC4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene
SMILESCC(C)(C)c1ccc(F)c(-c2ccccc2Cl)c1
InChIInChI=1S/C16H16ClF/c1-16(2,3)11-8-9-15(18)13(10-11)12-6-4-5-7-14(12)17/h4-10H,1-3H3
InChIKeyZBMMXXKWWRKFNF-UHFFFAOYSA-N
MW262.75 g/mol
LogP5.44
Rot. Bonds1

About 4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene

4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene (PubChem CID 58049383) has the molecular formula C16H16ClF and a molecular weight of 262.75 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene.

Molecular Properties

Compound Name4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene
PubChem CID58049383
Molecular FormulaC16H16ClF
Molecular Weight262.75 g/mol
Exact Mass262.09
IUPAC Name4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene
SMILESCC(C)(C)c1ccc(F)c(-c2ccccc2Cl)c1
InChIInChI=1S/C16H16ClF/c1-16(2,3)11-8-9-15(18)13(10-11)12-6-4-5-7-14(12)17/h4-10H,1-3H3
InChIKeyZBMMXXKWWRKFNF-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.75
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene?
The IUPAC name of 4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene (CID 58049383) is 4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene.
What is the SMILES notation for 4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene?
The canonical SMILES for 4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene is CC(C)(C)c1ccc(F)c(-c2ccccc2Cl)c1.
What is the InChIKey of 4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene?
The InChIKey is ZBMMXXKWWRKFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF/c1-16(2,3)11-8-9-15(18)13(10-11)12-6-4-5-7-14(12)17/h4-10H,1-3H3.
What are the key properties of 4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene?
4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene has a molecular weight of 262.75 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene is sourced from PubChem (CID 58049383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).