3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene

C18H16F2 — CID 139952241

IUPAC3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene
SMILESCCc1ccc(C2=Cc3ccc(F)cc3CC2)c(F)c1
InChIInChI=1S/C18H16F2/c1-2-12-3-8-17(18(20)9-12)15-5-4-14-11-16(19)7-6-13(14)10-15/h3,6-11H,2,4-5H2,1H3
InChIKeyKSQUQEWQBPOREF-UHFFFAOYSA-N
MW270.32 g/mol
LogP5.01
Rot. Bonds2

About 3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene

3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene (PubChem CID 139952241) has the molecular formula C18H16F2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene
PubChem CID139952241
Molecular FormulaC18H16F2
Molecular Weight270.32 g/mol
Exact Mass270.12
IUPAC Name3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene
SMILESCCc1ccc(C2=Cc3ccc(F)cc3CC2)c(F)c1
InChIInChI=1S/C18H16F2/c1-2-12-3-8-17(18(20)9-12)15-5-4-14-11-16(19)7-6-13(14)10-15/h3,6-11H,2,4-5H2,1H3
InChIKeyKSQUQEWQBPOREF-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.32
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene 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

3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961429
3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961089
3-(4-butyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961426
7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-(4-ethyl-2-fluorophenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960554
6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 139961212
6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961115
3-(4-butylphenyl)-7-fluoro-1,2-dihydronaphthalene;3-(4-ethylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene;7-fluoro-3-(4-pentylphenyl)-1,2-dihydronaphthalene
CID 158815759
3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961130
7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene
CID 139960643
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
3-(4-butylphenyl)-7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961104
2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene
CID 139883628

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene?
The IUPAC name of 3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene (CID 139952241) is 3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene?
The canonical SMILES for 3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene is CCc1ccc(C2=Cc3ccc(F)cc3CC2)c(F)c1.
What is the InChIKey of 3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene?
The InChIKey is KSQUQEWQBPOREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2/c1-2-12-3-8-17(18(20)9-12)15-5-4-14-11-16(19)7-6-13(14)10-15/h3,6-11H,2,4-5H2,1H3.
What are the key properties of 3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene?
3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene has a molecular weight of 270.32 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 3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene is sourced from PubChem (CID 139952241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).