8-tert-butyl-1-chloro-2-fluoronaphthalene

C14H14ClF — CID 155794339

IUPAC8-tert-butyl-1-chloro-2-fluoronaphthalene
SMILESCC(C)(C)c1cccc2ccc(F)c(Cl)c12
InChIInChI=1S/C14H14ClF/c1-14(2,3)10-6-4-5-9-7-8-11(16)13(15)12(9)10/h4-8H,1-3H3
InChIKeyKYOMAEVOTGZKKQ-UHFFFAOYSA-N
MW236.72 g/mol
LogP4.93
Rot. Bonds

About 8-tert-butyl-1-chloro-2-fluoronaphthalene

8-tert-butyl-1-chloro-2-fluoronaphthalene (PubChem CID 155794339) has the molecular formula C14H14ClF and a molecular weight of 236.72 g/mol. Its IUPAC name is 8-tert-butyl-1-chloro-2-fluoronaphthalene.

Molecular Properties

Compound Name8-tert-butyl-1-chloro-2-fluoronaphthalene
PubChem CID155794339
Molecular FormulaC14H14ClF
Molecular Weight236.72 g/mol
Exact Mass236.08
IUPAC Name8-tert-butyl-1-chloro-2-fluoronaphthalene
SMILESCC(C)(C)c1cccc2ccc(F)c(Cl)c12
InChIInChI=1S/C14H14ClF/c1-14(2,3)10-6-4-5-9-7-8-11(16)13(15)12(9)10/h4-8H,1-3H3
InChIKeyKYOMAEVOTGZKKQ-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8-tert-butyl-1-chloro-2-fluoronaphthalene 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 8-tert-butyl-1-chloro-2-fluoronaphthalene?
The IUPAC name of 8-tert-butyl-1-chloro-2-fluoronaphthalene (CID 155794339) is 8-tert-butyl-1-chloro-2-fluoronaphthalene.
What is the SMILES notation for 8-tert-butyl-1-chloro-2-fluoronaphthalene?
The canonical SMILES for 8-tert-butyl-1-chloro-2-fluoronaphthalene is CC(C)(C)c1cccc2ccc(F)c(Cl)c12.
What is the InChIKey of 8-tert-butyl-1-chloro-2-fluoronaphthalene?
The InChIKey is KYOMAEVOTGZKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF/c1-14(2,3)10-6-4-5-9-7-8-11(16)13(15)12(9)10/h4-8H,1-3H3.
What are the key properties of 8-tert-butyl-1-chloro-2-fluoronaphthalene?
8-tert-butyl-1-chloro-2-fluoronaphthalene has a molecular weight of 236.72 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1-chloro-2-fluoronaphthalene is sourced from PubChem (CID 155794339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).