2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene

C20H22F2 — CID 139848750

IUPAC2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc(CCC2CCc3cc(F)c(F)cc3C2)cc1
InChIInChI=1S/C20H22F2/c1-2-14-3-5-15(6-4-14)7-8-16-9-10-17-12-19(21)20(22)13-18(17)11-16/h3-6,12-13,16H,2,7-11H2,1H3
InChIKeyJHYQGFRLTUBRTR-UHFFFAOYSA-N
MW300.39 g/mol
LogP5.26
Rot. Bonds4

About 2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene

2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848750) has the molecular formula C20H22F2 and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID139848750
Molecular FormulaC20H22F2
Molecular Weight300.39 g/mol
Exact Mass300.17
IUPAC Name2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc(CCC2CCc3cc(F)c(F)cc3C2)cc1
InChIInChI=1S/C20H22F2/c1-2-14-3-5-15(6-4-14)7-8-16-9-10-17-12-19(21)20(22)13-18(17)11-16/h3-6,12-13,16H,2,7-11H2,1H3
InChIKeyJHYQGFRLTUBRTR-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.39
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-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

6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139848305
2-[2-(4-ethyl-2-fluorophenyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848502
2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139849671
2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849291
2-[2-(4-ethylphenyl)ethyl]-5,7-difluoro-6-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139853625
2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139849003
5,6-difluoro-2-[2-(4-heptylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139849152
6-(3,4-difluorophenyl)-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 22709061
4-[2-(4-ethylphenyl)ethyl]-1-methylsilinane
CID 174398139
2-[2-(4-chlorophenyl)ethyl]-5-[2-[4-[2-(4-ethylphenyl)ethyl]cyclohexyl]ethyl]-1,3-difluorobenzene
CID 54005968
4-[4-[6-[2-(4-ethylphenyl)ethyl]-1,3,4-trifluoro-5,6,7,8-tetrahydronaphthalen-2-yl]cyclohexyl]-2,6-difluorobenzonitrile
CID 139852719
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-7-propyl-1,2,3,4,5,6,7,8-octahydrophenanthrene
CID 22045593

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene (CID 139848750) is 2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene is CCc1ccc(CCC2CCc3cc(F)c(F)cc3C2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JHYQGFRLTUBRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2/c1-2-14-3-5-15(6-4-14)7-8-16-9-10-17-12-19(21)20(22)13-18(17)11-16/h3-6,12-13,16H,2,7-11H2,1H3.
What are the key properties of 2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene?
2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 300.39 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).