2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene

C18H19F — CID 134491135

IUPAC2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCc2c(cccc2-c2ccccc2F)C1
InChIInChI=1S/C18H19F/c1-2-13-10-11-15-14(12-13)6-5-8-16(15)17-7-3-4-9-18(17)19/h3-9,13H,2,10-12H2,1H3
InChIKeyOBRTXWJSYMHMED-UHFFFAOYSA-N
MW254.35 g/mol
LogP5.01
Rot. Bonds2

About 2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene

2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 134491135) has the molecular formula C18H19F and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID134491135
Molecular FormulaC18H19F
Molecular Weight254.35 g/mol
Exact Mass254.15
IUPAC Name2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCc2c(cccc2-c2ccccc2F)C1
InChIInChI=1S/C18H19F/c1-2-13-10-11-15-14(12-13)6-5-8-16(15)17-7-3-4-9-18(17)19/h3-9,13H,2,10-12H2,1H3
InChIKeyOBRTXWJSYMHMED-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.35
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene (CID 134491135) is 2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene is CCC1CCc2c(cccc2-c2ccccc2F)C1.
What is the InChIKey of 2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OBRTXWJSYMHMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F/c1-2-13-10-11-15-14(12-13)6-5-8-16(15)17-7-3-4-9-18(17)19/h3-9,13H,2,10-12H2,1H3.
What are the key properties of 2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene?
2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 254.35 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 134491135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).