2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene

C13H17F — CID 58719081

IUPAC2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCc2c(ccc(C)c2F)C1
InChIInChI=1S/C13H17F/c1-3-10-5-7-12-11(8-10)6-4-9(2)13(12)14/h4,6,10H,3,5,7-8H2,1-2H3
InChIKeyNKDAQZNGWGUXAL-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.65
Rot. Bonds1

About 2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene

2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 58719081) has the molecular formula C13H17F and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID58719081
Molecular FormulaC13H17F
Molecular Weight192.28 g/mol
Exact Mass192.13
IUPAC Name2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCc2c(ccc(C)c2F)C1
InChIInChI=1S/C13H17F/c1-3-10-5-7-12-11(8-10)6-4-9(2)13(12)14/h4,6,10H,3,5,7-8H2,1-2H3
InChIKeyNKDAQZNGWGUXAL-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55294774
6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852568
2-ethyl-5-(2-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 134491135
5-fluoro-2-heptyl-6-prop-1-ynyl-1,2,3,4-tetrahydronaphthalene
CID 58718952
5,6-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139849607
2-(4-ethylcyclohexyl)-5-fluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58840084
5,6-difluoro-2-[2-(4-heptylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139849152
2-butyl-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852102
6-[2-(2,6-difluoro-4-methylphenyl)ethyl]-1-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848018
6-[2-(4-chloro-3-fluorophenyl)ethynyl]-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 58840135
6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-5-fluoro-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 58840169
1-fluoro-6-[2-(4-heptylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849708

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene (CID 58719081) is 2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene is CCC1CCc2c(ccc(C)c2F)C1.
What is the InChIKey of 2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NKDAQZNGWGUXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F/c1-3-10-5-7-12-11(8-10)6-4-9(2)13(12)14/h4,6,10H,3,5,7-8H2,1-2H3.
What are the key properties of 2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene?
2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 192.28 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 2-ethyl-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 58719081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).