1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene

C16H4F8 — CID 123149014

IUPAC1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene
SMILESFc1ccc2cc(-c3c(F)c(F)c(F)c(F)c3F)cc(F)c2c1F
InChIInChI=1S/C16H4F8/c17-7-2-1-5-3-6(4-8(18)9(5)11(7)19)10-12(20)14(22)16(24)15(23)13(10)21/h1-4H
InChIKeyVOCZGAOATJPQIX-UHFFFAOYSA-N
MW348.19 g/mol
LogP5.62
Rot. Bonds1

About 1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene

1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene (PubChem CID 123149014) has the molecular formula C16H4F8 and a molecular weight of 348.19 g/mol. Its IUPAC name is 1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene.

Molecular Properties

Compound Name1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene
PubChem CID123149014
Molecular FormulaC16H4F8
Molecular Weight348.19 g/mol
Exact Mass348.02
IUPAC Name1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene
SMILESFc1ccc2cc(-c3c(F)c(F)c(F)c(F)c3F)cc(F)c2c1F
InChIInChI=1S/C16H4F8/c17-7-2-1-5-3-6(4-8(18)9(5)11(7)19)10-12(20)14(22)16(24)15(23)13(10)21/h1-4H
InChIKeyVOCZGAOATJPQIX-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.19
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoronaphthalen-1-yl)-7-[10-(3,4,5-trifluorophenyl)anthracen-9-yl]pyrene
CID 167155226
1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 118595772
2-fluoro-N,N-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)aniline
CID 118835632
8-bromo-1,2-difluoro-6-methylnaphthalene
CID 174273019
9-(3,4-difluorophenyl)-1,2,3,4,5,6,7,8-octafluoro-10-(4-methoxyphenyl)anthracene
CID 87458156
6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene
CID 139847368
4-amino-5,6-difluoronaphthalen-2-ol
CID 164921931
1,2-difluoro-6-(4-methylphenyl)naphthalene
CID 70883391
6-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)naphthalen-2-ol
CID 118286198
6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol
CID 139849914
1,8-difluoro-6-(4-pentylphenyl)naphthalen-2-ol
CID 139849886
1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
CID 87457826

Frequently Asked Questions

What is the IUPAC name of 1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene?
The IUPAC name of 1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene (CID 123149014) is 1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene.
What is the SMILES notation for 1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene?
The canonical SMILES for 1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene is Fc1ccc2cc(-c3c(F)c(F)c(F)c(F)c3F)cc(F)c2c1F.
What is the InChIKey of 1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene?
The InChIKey is VOCZGAOATJPQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H4F8/c17-7-2-1-5-3-6(4-8(18)9(5)11(7)19)10-12(20)14(22)16(24)15(23)13(10)21/h1-4H.
What are the key properties of 1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene?
1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene has a molecular weight of 348.19 g/mol, XLogP of 5.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene is sourced from PubChem (CID 123149014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).