6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene

C13H16F2 — CID 130370166

IUPAC6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCCc1cc2c(c(F)c1F)CC(C)CC2
InChIInChI=1S/C13H16F2/c1-3-9-7-10-5-4-8(2)6-11(10)13(15)12(9)14/h7-8H,3-6H2,1-2H3
InChIKeyMYRGFSXFQBYYRE-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.65
Rot. Bonds1

About 6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene

6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 130370166) has the molecular formula C13H16F2 and a molecular weight of 210.27 g/mol. Its IUPAC name is 6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID130370166
Molecular FormulaC13H16F2
Molecular Weight210.27 g/mol
Exact Mass210.12
IUPAC Name6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCCc1cc2c(c(F)c1F)CC(C)CC2
InChIInChI=1S/C13H16F2/c1-3-9-7-10-5-4-8(2)6-11(10)13(15)12(9)14/h7-8H,3-6H2,1-2H3
InChIKeyMYRGFSXFQBYYRE-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 130370166) is 6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene is CCc1cc2c(c(F)c1F)CC(C)CC2.
What is the InChIKey of 6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MYRGFSXFQBYYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2/c1-3-9-7-10-5-4-8(2)6-11(10)13(15)12(9)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 210.27 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 130370166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).