6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene

C18H17F3 — CID 139852568

IUPAC6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCc2c(ccc(-c3ccc(F)c(F)c3)c2F)C1
InChIInChI=1S/C18H17F3/c1-2-11-3-6-14-12(9-11)4-7-15(18(14)21)13-5-8-16(19)17(20)10-13/h4-5,7-8,10-11H,2-3,6,9H2,1H3
InChIKeyDMWYJVOPTJGTQV-UHFFFAOYSA-N
MW290.33 g/mol
LogP5.29
Rot. Bonds2

About 6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene

6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852568) has the molecular formula C18H17F3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID139852568
Molecular FormulaC18H17F3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCc2c(ccc(-c3ccc(F)c(F)c3)c2F)C1
InChIInChI=1S/C18H17F3/c1-2-11-3-6-14-12(9-11)4-7-15(18(14)21)13-5-8-16(19)17(20)10-13/h4-5,7-8,10-11H,2-3,6,9H2,1H3
InChIKeyDMWYJVOPTJGTQV-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.33
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene (CID 139852568) is 6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene is CCC1CCc2c(ccc(-c3ccc(F)c(F)c3)c2F)C1.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DMWYJVOPTJGTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3/c1-2-11-3-6-14-12(9-11)4-7-15(18(14)21)13-5-8-16(19)17(20)10-13/h4-5,7-8,10-11H,2-3,6,9H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene?
6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 290.33 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).