2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine

C15H5BF6 — CID 174434268

IUPAC2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine
SMILESFc1cc(F)c2c(F)c(F)c(F)c(-c3bcccc3)c2c1F
InChIInChI=1S/C15H5BF6/c17-7-5-8(18)12(19)11-9(6-3-1-2-4-16-6)13(20)15(22)14(21)10(7)11/h1-5H
InChIKeyZGWYIHUJEFZACF-UHFFFAOYSA-N
MW310.00 g/mol
LogP4.68
Rot. Bonds1

About 2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine

2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine (PubChem CID 174434268) has the molecular formula C15H5BF6 and a molecular weight of 310.00 g/mol. Its IUPAC name is 2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine.

Molecular Properties

Compound Name2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine
PubChem CID174434268
Molecular FormulaC15H5BF6
Molecular Weight310.00 g/mol
Exact Mass310.04
IUPAC Name2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine
SMILESFc1cc(F)c2c(F)c(F)c(F)c(-c3bcccc3)c2c1F
InChIInChI=1S/C15H5BF6/c17-7-5-8(18)12(19)11-9(6-3-1-2-4-16-6)13(20)15(22)14(21)10(7)11/h1-5H
InChIKeyZGWYIHUJEFZACF-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.00
LogP ≤ 54.68
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-(2,3,4,6,7,8-hexafluoronaphthalen-1-yl)borinine
CID 174395996
1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
CID 87428777
1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene
CID 12635103
1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene
CID 71326789
1,4-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
CID 87457826
1,2,3,4,6-pentafluoro-10-(2,3,4,5,6-pentafluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)anthracene
CID 88877500
1,4-difluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene
CID 87428689
1,2,8-trifluoro-6-(2,3,4,5,6-pentafluorophenyl)naphthalene
CID 123149014
1,2,3,4,5,6,7,8,9,10,11,13,14-tridecafluoro-12-phenylpentaphene
CID 121333824
CID 174384413
CID 174384413
1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene
CID 24827241
9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene
CID 87457689

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine?
The IUPAC name of 2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine (CID 174434268) is 2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine.
What is the SMILES notation for 2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine?
The canonical SMILES for 2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine is Fc1cc(F)c2c(F)c(F)c(F)c(-c3bcccc3)c2c1F.
What is the InChIKey of 2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine?
The InChIKey is ZGWYIHUJEFZACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5BF6/c17-7-5-8(18)12(19)11-9(6-3-1-2-4-16-6)13(20)15(22)14(21)10(7)11/h1-5H.
What are the key properties of 2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine?
2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine has a molecular weight of 310.00 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,7,8-hexafluoronaphthalen-1-yl)borinine is sourced from PubChem (CID 174434268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).