2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene

C20H18F2 — CID 139853068

IUPAC2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCc2cc(C#Cc3ccc(F)cc3)c(F)cc2C1
InChIInChI=1S/C20H18F2/c1-2-14-3-7-16-12-17(20(22)13-18(16)11-14)8-4-15-5-9-19(21)10-6-15/h5-6,9-10,12-14H,2-3,7,11H2,1H3
InChIKeySBOWNAZIUMNZCQ-UHFFFAOYSA-N
MW296.36 g/mol
LogP4.88
Rot. Bonds1

About 2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene

2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853068) has the molecular formula C20H18F2 and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139853068
Molecular FormulaC20H18F2
Molecular Weight296.36 g/mol
Exact Mass296.14
IUPAC Name2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCc2cc(C#Cc3ccc(F)cc3)c(F)cc2C1
InChIInChI=1S/C20H18F2/c1-2-14-3-7-16-12-17(20(22)13-18(16)11-14)8-4-15-5-9-19(21)10-6-15/h5-6,9-10,12-14H,2-3,7,11H2,1H3
InChIKeySBOWNAZIUMNZCQ-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-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

7-fluoro-2-propyl-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853557
2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852706
7-fluoro-2-(2-fluoro-4-pentylphenyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139852444
6-[2-(2,3-difluorophenyl)ethynyl]-7-fluoro-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139853249
7-fluoro-2-(4-pentylcyclohexyl)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139852083
2-(4-butyl-2,6-difluorophenyl)-6-[2-(3,4-difluorophenyl)ethynyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852782
6-[2-(3,4-difluorophenyl)ethynyl]-7-fluoro-2-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852206
2-(2,6-difluoro-4-pentylphenyl)-7-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139852058
2-butyl-6-[2-(2,3-difluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139852285
4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene
CID 14365891
6-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848700
1-[(4-ethylcyclohexyl)methoxy]-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 67933653

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene (CID 139853068) is 2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene is CCC1CCc2cc(C#Cc3ccc(F)cc3)c(F)cc2C1.
What is the InChIKey of 2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is SBOWNAZIUMNZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2/c1-2-14-3-7-16-12-17(20(22)13-18(16)11-14)8-4-15-5-9-19(21)10-6-15/h5-6,9-10,12-14H,2-3,7,11H2,1H3.
What are the key properties of 2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene?
2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 296.36 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).