6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene

C19H20F2 — CID 22709061

IUPAC6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCc2cc(-c3ccc(F)c(F)c3)ccc2C1
InChIInChI=1S/C19H20F2/c1-2-3-13-4-5-15-11-16(7-6-14(15)10-13)17-8-9-18(20)19(21)12-17/h6-9,11-13H,2-5,10H2,1H3
InChIKeyOWXGBQLAJUBYMO-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.54
Rot. Bonds3

About 6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene

6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 22709061) has the molecular formula C19H20F2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene
PubChem CID22709061
Molecular FormulaC19H20F2
Molecular Weight286.37 g/mol
Exact Mass286.15
IUPAC Name6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCc2cc(-c3ccc(F)c(F)c3)ccc2C1
InChIInChI=1S/C19H20F2/c1-2-3-13-4-5-15-11-16(7-6-14(15)10-13)17-8-9-18(20)19(21)12-17/h6-9,11-13H,2-5,10H2,1H3
InChIKeyOWXGBQLAJUBYMO-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-(3,4-difluorophenyl)-2-propyl-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

Related Compounds

2-butyl-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852113
2-[2-(4-pentylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58840279
4-(6-propyl-5,6,7,8-tetrahydronaphthalen-2-yl)benzonitrile
CID 20500208
6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139852535
2-butyl-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852102
6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 139853300
2-propyl-1,2,3,4-tetrahydronaphthalene
CID 13330225
2-heptyl-6-(4-hexylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500542
1-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 24754190
2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500384
6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene
CID 20500248
2-hexyl-6-(4-pentoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500404

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene (CID 22709061) is 6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene is CCCC1CCc2cc(-c3ccc(F)c(F)c3)ccc2C1.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OWXGBQLAJUBYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2/c1-2-3-13-4-5-15-11-16(7-6-14(15)10-13)17-8-9-18(20)19(21)12-17/h6-9,11-13H,2-5,10H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene?
6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 286.37 g/mol, XLogP of 5.54, 3 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-propyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 22709061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).