1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene

C14H19F — CID 134573314

IUPAC1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)C1CCCc2cc(F)ccc21
InChIInChI=1S/C14H19F/c1-14(2,3)13-6-4-5-10-9-11(15)7-8-12(10)13/h7-9,13H,4-6H2,1-3H3
InChIKeyKPNODDGKTLVZRO-UHFFFAOYSA-N
MW206.30 g/mol
LogP4.29
Rot. Bonds

About 1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene

1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 134573314) has the molecular formula C14H19F and a molecular weight of 206.30 g/mol. Its IUPAC name is 1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID134573314
Molecular FormulaC14H19F
Molecular Weight206.30 g/mol
Exact Mass206.15
IUPAC Name1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)C1CCCc2cc(F)ccc21
InChIInChI=1S/C14H19F/c1-14(2,3)13-6-4-5-10-9-11(15)7-8-12(10)13/h7-9,13H,4-6H2,1-3H3
InChIKeyKPNODDGKTLVZRO-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene (CID 134573314) is 1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene is CC(C)(C)C1CCCc2cc(F)ccc21.
What is the InChIKey of 1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KPNODDGKTLVZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F/c1-14(2,3)13-6-4-5-10-9-11(15)7-8-12(10)13/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene?
1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 206.30 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 134573314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).