2-bromo-6-fluoro-3-methylanthracene;ethane

C17H16BrF — CID 159320278

IUPAC2-bromo-6-fluoro-3-methylanthracene;ethane
SMILESCC.Cc1cc2cc3cc(F)ccc3cc2cc1Br
InChIInChI=1S/C15H10BrF.C2H6/c1-9-4-11-6-12-7-14(17)3-2-10(12)5-13(11)8-15(9)16;1-2/h2-8H,1H3;1-2H3
InChIKeyLDRCSGNFPDTHND-UHFFFAOYSA-N
MW319.22 g/mol
LogP6.23
Rot. Bonds

About 2-bromo-6-fluoro-3-methylanthracene;ethane

2-bromo-6-fluoro-3-methylanthracene;ethane (PubChem CID 159320278) has the molecular formula C17H16BrF and a molecular weight of 319.22 g/mol. Its IUPAC name is 2-bromo-6-fluoro-3-methylanthracene;ethane.

Molecular Properties

Compound Name2-bromo-6-fluoro-3-methylanthracene;ethane
PubChem CID159320278
Molecular FormulaC17H16BrF
Molecular Weight319.22 g/mol
Exact Mass318.04
IUPAC Name2-bromo-6-fluoro-3-methylanthracene;ethane
SMILESCC.Cc1cc2cc3cc(F)ccc3cc2cc1Br
InChIInChI=1S/C15H10BrF.C2H6/c1-9-4-11-6-12-7-14(17)3-2-10(12)5-13(11)8-15(9)16;1-2/h2-8H,1H3;1-2H3
InChIKeyLDRCSGNFPDTHND-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.22
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-3-methylnaphthalen-2-ol
CID 20595199
1-bromo-4-fluoro-2-methylbenzene;difluoromethane
CID 160708102
bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine
CID 159659197
2-bromo-4-fluoro-1-methylbenzene;ethane;4-methylaniline
CID 142152830
3,6-difluoro-1-methylnaphthalene
CID 138605249
1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
CID 164892527
2-(bromomethyl)-7-fluoronaphthalene
CID 23292295
5-bromo-2-fluoro-6-methyl-1-benzothiophene
CID 131075792
(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 81473098
(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 115852564
(4-bromo-2,5-dimethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115671
7-fluoro-2-(7-fluorobenzo[f][1]benzofuran-2-yl)benzo[f][1]benzofuran
CID 71108521

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-3-methylanthracene;ethane?
The IUPAC name of 2-bromo-6-fluoro-3-methylanthracene;ethane (CID 159320278) is 2-bromo-6-fluoro-3-methylanthracene;ethane.
What is the SMILES notation for 2-bromo-6-fluoro-3-methylanthracene;ethane?
The canonical SMILES for 2-bromo-6-fluoro-3-methylanthracene;ethane is CC.Cc1cc2cc3cc(F)ccc3cc2cc1Br.
What is the InChIKey of 2-bromo-6-fluoro-3-methylanthracene;ethane?
The InChIKey is LDRCSGNFPDTHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF.C2H6/c1-9-4-11-6-12-7-14(17)3-2-10(12)5-13(11)8-15(9)16;1-2/h2-8H,1H3;1-2H3.
What are the key properties of 2-bromo-6-fluoro-3-methylanthracene;ethane?
2-bromo-6-fluoro-3-methylanthracene;ethane has a molecular weight of 319.22 g/mol, XLogP of 6.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-3-methylanthracene;ethane is sourced from PubChem (CID 159320278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).