6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene

C20H14F6 — CID 139847349

IUPAC6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene
SMILESCCCCc1cc(F)c(-c2cc(F)c3c(F)c(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C20H14F6/c1-2-3-4-10-5-13(21)17(14(22)6-10)11-7-12-9-16(24)19(25)20(26)18(12)15(23)8-11/h5-9H,2-4H2,1H3
InChIKeyFORALRRYLGONEO-UHFFFAOYSA-N
MW368.32 g/mol
LogP6.68
Rot. Bonds4

About 6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene

6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene (PubChem CID 139847349) has the molecular formula C20H14F6 and a molecular weight of 368.32 g/mol. Its IUPAC name is 6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene.

Molecular Properties

Compound Name6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene
PubChem CID139847349
Molecular FormulaC20H14F6
Molecular Weight368.32 g/mol
Exact Mass368.10
IUPAC Name6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene
SMILESCCCCc1cc(F)c(-c2cc(F)c3c(F)c(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C20H14F6/c1-2-3-4-10-5-13(21)17(14(22)6-10)11-7-12-9-16(24)19(25)20(26)18(12)15(23)8-11/h5-9H,2-4H2,1H3
InChIKeyFORALRRYLGONEO-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.32
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol
CID 139849915
2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene
CID 139855232
2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene
CID 139855442
6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139846752
6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene
CID 139847368
1-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118593552
6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-1,2,3-trifluoronaphthalene
CID 139846986
6-[4-(4-butyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847281
6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol
CID 139849914
6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139847069
6-[4-[2-(4-butyl-2-fluorophenyl)ethynyl]-2,6-difluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847008
[6-(2,6-difluoro-4-pentylphenyl)-1,8-difluoronaphthalen-2-yl] trifluoromethanesulfonate
CID 139849944

Frequently Asked Questions

What is the IUPAC name of 6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene?
The IUPAC name of 6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene (CID 139847349) is 6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene.
What is the SMILES notation for 6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene?
The canonical SMILES for 6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene is CCCCc1cc(F)c(-c2cc(F)c3c(F)c(F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene?
The InChIKey is FORALRRYLGONEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6/c1-2-3-4-10-5-13(21)17(14(22)6-10)11-7-12-9-16(24)19(25)20(26)18(12)15(23)8-11/h5-9H,2-4H2,1H3.
What are the key properties of 6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene?
6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene has a molecular weight of 368.32 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene is sourced from PubChem (CID 139847349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).