1-tert-butyl-8-(trifluoromethyl)naphthalene

C15H15F3 — CID 155794359

IUPAC1-tert-butyl-8-(trifluoromethyl)naphthalene
SMILESCC(C)(C)c1cccc2cccc(C(F)(F)F)c12
InChIInChI=1S/C15H15F3/c1-14(2,3)11-8-4-6-10-7-5-9-12(13(10)11)15(16,17)18/h4-9H,1-3H3
InChIKeyRXLVIQHEBNYLQI-UHFFFAOYSA-N
MW252.28 g/mol
LogP5.16
Rot. Bonds

About 1-tert-butyl-8-(trifluoromethyl)naphthalene

1-tert-butyl-8-(trifluoromethyl)naphthalene (PubChem CID 155794359) has the molecular formula C15H15F3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-tert-butyl-8-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name1-tert-butyl-8-(trifluoromethyl)naphthalene
PubChem CID155794359
Molecular FormulaC15H15F3
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name1-tert-butyl-8-(trifluoromethyl)naphthalene
SMILESCC(C)(C)c1cccc2cccc(C(F)(F)F)c12
InChIInChI=1S/C15H15F3/c1-14(2,3)11-8-4-6-10-7-5-9-12(13(10)11)15(16,17)18/h4-9H,1-3H3
InChIKeyRXLVIQHEBNYLQI-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.28
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol
CID 169009511
1-tert-butyl-2-chloro-3-(trifluoromethyl)benzene
CID 58837040
8-tert-butyl-1-chloro-2-fluoronaphthalene
CID 155794339
1-methyl-8-(trifluoromethyl)isoquinoline
CID 125457545
1-tert-butyl-8-cyclopropylnaphthalene
CID 156665597
1-chloro-8-(trifluoromethyl)isoquinoline
CID 84819746
2-(8-tert-butylnaphthalen-1-yl)acetonitrile
CID 168848356
4,9-ditert-butylphenanthrene
CID 140702343
3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine
CID 63385895
4,5-ditert-butyl-1-fluoronaphthalene
CID 162194038
9-tert-butyl-3H-cyclopenta[a]naphthalene
CID 148527121
3-tert-butyl-7-(trifluoromethyl)-1-benzofuran
CID 155278197

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-8-(trifluoromethyl)naphthalene?
The IUPAC name of 1-tert-butyl-8-(trifluoromethyl)naphthalene (CID 155794359) is 1-tert-butyl-8-(trifluoromethyl)naphthalene.
What is the SMILES notation for 1-tert-butyl-8-(trifluoromethyl)naphthalene?
The canonical SMILES for 1-tert-butyl-8-(trifluoromethyl)naphthalene is CC(C)(C)c1cccc2cccc(C(F)(F)F)c12.
What is the InChIKey of 1-tert-butyl-8-(trifluoromethyl)naphthalene?
The InChIKey is RXLVIQHEBNYLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3/c1-14(2,3)11-8-4-6-10-7-5-9-12(13(10)11)15(16,17)18/h4-9H,1-3H3.
What are the key properties of 1-tert-butyl-8-(trifluoromethyl)naphthalene?
1-tert-butyl-8-(trifluoromethyl)naphthalene has a molecular weight of 252.28 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-8-(trifluoromethyl)naphthalene is sourced from PubChem (CID 155794359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).