5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene

C21H22F2 — CID 139960788

IUPAC5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
SMILESCCCCCc1ccc(C2=CCc3c(F)cccc3C2)c(F)c1
InChIInChI=1S/C21H22F2/c1-2-3-4-6-15-9-11-19(21(23)13-15)17-10-12-18-16(14-17)7-5-8-20(18)22/h5,7-11,13H,2-4,6,12,14H2,1H3
InChIKeyAORWCVWPGGGJQU-UHFFFAOYSA-N
MW312.40 g/mol
LogP5.88
Rot. Bonds5

About 5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene

5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene (PubChem CID 139960788) has the molecular formula C21H22F2 and a molecular weight of 312.40 g/mol. Its IUPAC name is 5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene.

Molecular Properties

Compound Name5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
PubChem CID139960788
Molecular FormulaC21H22F2
Molecular Weight312.40 g/mol
Exact Mass312.17
IUPAC Name5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
SMILESCCCCCc1ccc(C2=CCc3c(F)cccc3C2)c(F)c1
InChIInChI=1S/C21H22F2/c1-2-3-4-6-15-9-11-19(21(23)13-15)17-10-12-18-16(14-17)7-5-8-20(18)22/h5,7-11,13H,2-4,6,12,14H2,1H3
InChIKeyAORWCVWPGGGJQU-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.40
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139948920
2-(4-butyl-2-fluorophenyl)-6-(2,3-difluoro-4-methoxyphenyl)-5-fluoro-1,4-dihydronaphthalene
CID 139960733
2-(4-butyl-2-fluorophenyl)-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139960984
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139949001
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139961732
2-(2,6-difluoro-4-pentylphenyl)-5-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139960805
2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene
CID 139960832
2-(2-fluoro-4-octylphenyl)pyrimidine
CID 57127458
2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene
CID 139960874
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
2-hexyl-9H-fluorene
CID 2801684

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene?
The IUPAC name of 5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene (CID 139960788) is 5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene.
What is the SMILES notation for 5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene?
The canonical SMILES for 5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene is CCCCCc1ccc(C2=CCc3c(F)cccc3C2)c(F)c1.
What is the InChIKey of 5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene?
The InChIKey is AORWCVWPGGGJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2/c1-2-3-4-6-15-9-11-19(21(23)13-15)17-10-12-18-16(14-17)7-5-8-20(18)22/h5,7-11,13H,2-4,6,12,14H2,1H3.
What are the key properties of 5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene?
5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene has a molecular weight of 312.40 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene is sourced from PubChem (CID 139960788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).