7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene

C15H19F3 — CID 130466939

IUPAC7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)c1cc2c(c(C(F)(F)F)c1)CCCC2
InChIInChI=1S/C15H19F3/c1-14(2,3)11-8-10-6-4-5-7-12(10)13(9-11)15(16,17)18/h8-9H,4-7H2,1-3H3
InChIKeyNTBPOXDCZBIULW-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.88
Rot. Bonds

About 7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene

7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 130466939) has the molecular formula C15H19F3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID130466939
Molecular FormulaC15H19F3
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)c1cc2c(c(C(F)(F)F)c1)CCCC2
InChIInChI=1S/C15H19F3/c1-14(2,3)11-8-10-6-4-5-7-12(10)13(9-11)15(16,17)18/h8-9H,4-7H2,1-3H3
InChIKeyNTBPOXDCZBIULW-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene (CID 130466939) is 7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene is CC(C)(C)c1cc2c(c(C(F)(F)F)c1)CCCC2.
What is the InChIKey of 7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NTBPOXDCZBIULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3/c1-14(2,3)11-8-10-6-4-5-7-12(10)13(9-11)15(16,17)18/h8-9H,4-7H2,1-3H3.
What are the key properties of 7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene?
7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 256.31 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 130466939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).