1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene

C28H33F — CID 170193089

IUPAC1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene
SMILESCC(C)(C)c1cccc2c1CCC(CC(C)(C)c1ccc(F)c3ccccc13)C2
InChIInChI=1S/C28H33F/c1-27(2,3)24-12-8-9-20-17-19(13-14-21(20)24)18-28(4,5)25-15-16-26(29)23-11-7-6-10-22(23)25/h6-12,15-16,19H,13-14,17-18H2,1-5H3
InChIKeyBARNZSZCIQUWLA-UHFFFAOYSA-N
MW388.57 g/mol
LogP7.75
Rot. Bonds3

About 1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene

1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene (PubChem CID 170193089) has the molecular formula C28H33F and a molecular weight of 388.57 g/mol. Its IUPAC name is 1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene.

Molecular Properties

Compound Name1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene
PubChem CID170193089
Molecular FormulaC28H33F
Molecular Weight388.57 g/mol
Exact Mass388.26
IUPAC Name1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene
SMILESCC(C)(C)c1cccc2c1CCC(CC(C)(C)c1ccc(F)c3ccccc13)C2
InChIInChI=1S/C28H33F/c1-27(2,3)24-12-8-9-20-17-19(13-14-21(20)24)18-28(4,5)25-15-16-26(29)23-11-7-6-10-22(23)25/h6-12,15-16,19H,13-14,17-18H2,1-5H3
InChIKeyBARNZSZCIQUWLA-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.57
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene?
The IUPAC name of 1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene (CID 170193089) is 1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene.
What is the SMILES notation for 1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene?
The canonical SMILES for 1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene is CC(C)(C)c1cccc2c1CCC(CC(C)(C)c1ccc(F)c3ccccc13)C2.
What is the InChIKey of 1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene?
The InChIKey is BARNZSZCIQUWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F/c1-27(2,3)24-12-8-9-20-17-19(13-14-21(20)24)18-28(4,5)25-15-16-26(29)23-11-7-6-10-22(23)25/h6-12,15-16,19H,13-14,17-18H2,1-5H3.
What are the key properties of 1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene?
1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene has a molecular weight of 388.57 g/mol, XLogP of 7.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene is sourced from PubChem (CID 170193089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).