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

C22H26F2 — CID 139849003

IUPAC2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCCCc1ccc(CCC2CCc3ccc(F)cc3C2)c(F)c1
InChIInChI=1S/C22H26F2/c1-2-3-4-16-6-9-19(22(24)14-16)10-7-17-5-8-18-11-12-21(23)15-20(18)13-17/h6,9,11-12,14-15,17H,2-5,7-8,10,13H2,1H3
InChIKeyFGRPMRZLKNPZRB-UHFFFAOYSA-N
MW328.45 g/mol
LogP6.05
Rot. Bonds6

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

2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849003) has the molecular formula C22H26F2 and a molecular weight of 328.45 g/mol. Its IUPAC name is 2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID139849003
Molecular FormulaC22H26F2
Molecular Weight328.45 g/mol
Exact Mass328.20
IUPAC Name2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCCCc1ccc(CCC2CCc3ccc(F)cc3C2)c(F)c1
InChIInChI=1S/C22H26F2/c1-2-3-4-16-6-9-19(22(24)14-16)10-7-17-5-8-18-11-12-21(23)15-20(18)13-17/h6,9,11-12,14-15,17H,2-5,7-8,10,13H2,1H3
InChIKeyFGRPMRZLKNPZRB-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.45
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-[2-(2-fluoro-4-pentylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849016
2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139849671
1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610847
2-[2-(4-ethyl-2-fluorophenyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848502
2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139848750
2-[2-(4-butyl-2,6-difluorophenyl)ethyl]-7,8-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849189
6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848702
2-[2-(4-butyl-2-fluorophenyl)ethyl]-5,7-difluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852941
1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene
CID 172817862
1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850
2-[2-(4-butyl-2-fluorophenyl)ethyl]-6-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene
CID 139852777
5,6-difluoro-2-[2-(4-heptylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139849152

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene (CID 139849003) is 2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene is CCCCc1ccc(CCC2CCc3ccc(F)cc3C2)c(F)c1.
What is the InChIKey of 2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is FGRPMRZLKNPZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2/c1-2-3-4-16-6-9-19(22(24)14-16)10-7-17-5-8-18-11-12-21(23)15-20(18)13-17/h6,9,11-12,14-15,17H,2-5,7-8,10,13H2,1H3.
What are the key properties of 2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 328.45 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butyl-2-fluorophenyl)ethyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).