1-tert-butyl-7-fluoro-2-methylnaphthalene

C15H17F — CID 164922162

IUPAC1-tert-butyl-7-fluoro-2-methylnaphthalene
SMILESCc1ccc2ccc(F)cc2c1C(C)(C)C
InChIInChI=1S/C15H17F/c1-10-5-6-11-7-8-12(16)9-13(11)14(10)15(2,3)4/h5-9H,1-4H3
InChIKeyPJYPHUYSGOVMRV-UHFFFAOYSA-N
MW216.30 g/mol
LogP4.58
Rot. Bonds

About 1-tert-butyl-7-fluoro-2-methylnaphthalene

1-tert-butyl-7-fluoro-2-methylnaphthalene (PubChem CID 164922162) has the molecular formula C15H17F and a molecular weight of 216.30 g/mol. Its IUPAC name is 1-tert-butyl-7-fluoro-2-methylnaphthalene.

Molecular Properties

Compound Name1-tert-butyl-7-fluoro-2-methylnaphthalene
PubChem CID164922162
Molecular FormulaC15H17F
Molecular Weight216.30 g/mol
Exact Mass216.13
IUPAC Name1-tert-butyl-7-fluoro-2-methylnaphthalene
SMILESCc1ccc2ccc(F)cc2c1C(C)(C)C
InChIInChI=1S/C15H17F/c1-10-5-6-11-7-8-12(16)9-13(11)14(10)15(2,3)4/h5-9H,1-4H3
InChIKeyPJYPHUYSGOVMRV-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7-fluoro-2-methylnaphthalene?
The IUPAC name of 1-tert-butyl-7-fluoro-2-methylnaphthalene (CID 164922162) is 1-tert-butyl-7-fluoro-2-methylnaphthalene.
What is the SMILES notation for 1-tert-butyl-7-fluoro-2-methylnaphthalene?
The canonical SMILES for 1-tert-butyl-7-fluoro-2-methylnaphthalene is Cc1ccc2ccc(F)cc2c1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-7-fluoro-2-methylnaphthalene?
The InChIKey is PJYPHUYSGOVMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F/c1-10-5-6-11-7-8-12(16)9-13(11)14(10)15(2,3)4/h5-9H,1-4H3.
What are the key properties of 1-tert-butyl-7-fluoro-2-methylnaphthalene?
1-tert-butyl-7-fluoro-2-methylnaphthalene has a molecular weight of 216.30 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-7-fluoro-2-methylnaphthalene is sourced from PubChem (CID 164922162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).