1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene

C15H6Br2F8 — CID 173054838

IUPAC1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
SMILESFc1ccc(-c2c(Br)cc(Br)cc2C(F)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H6Br2F8/c16-8-5-10(13(19,14(20,21)22)15(23,24)25)12(11(17)6-8)7-1-3-9(18)4-2-7/h1-6H
InChIKeyVGLWPZJBEQHXHB-UHFFFAOYSA-N
MW498.01 g/mol
LogP7.31
Rot. Bonds2

About 1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene

1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene (PubChem CID 173054838) has the molecular formula C15H6Br2F8 and a molecular weight of 498.01 g/mol. Its IUPAC name is 1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene.

Molecular Properties

Compound Name1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
PubChem CID173054838
Molecular FormulaC15H6Br2F8
Molecular Weight498.01 g/mol
Exact Mass495.87
IUPAC Name1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
SMILESFc1ccc(-c2c(Br)cc(Br)cc2C(F)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H6Br2F8/c16-8-5-10(13(19,14(20,21)22)15(23,24)25)12(11(17)6-8)7-1-3-9(18)4-2-7/h1-6H
InChIKeyVGLWPZJBEQHXHB-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.01
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,5-dibromo-2-(2-fluorophenyl)-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)benzene
CID 173054680
4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene
CID 164893029
2-(4-fluorophenyl)-1,5-dimethyl-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)benzene
CID 173059515
4-[2-bromo-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-propylphenyl]benzonitrile
CID 173059654
1-bromo-2-(2-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene
CID 173054694
4-(4-bromo-2,6-difluorophenyl)aniline
CID 178054531
1,3-dibromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 91107676
2-bromo-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)benzene
CID 123549410
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
1,5-dibromo-2-(3-fluorophenyl)-3-(1,1,2,2,3,3,3-heptafluoropropylsulfinyl)benzene
CID 173059611
1,5-dibromo-2-(2,4-difluorophenyl)-3-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)benzene
CID 173059430
4-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-iodo-4-(1,1,2,2,2-pentafluoroethyl)phenyl]benzonitrile
CID 173054636

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
The IUPAC name of 1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene (CID 173054838) is 1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene.
What is the SMILES notation for 1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
The canonical SMILES for 1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene is Fc1ccc(-c2c(Br)cc(Br)cc2C(F)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
The InChIKey is VGLWPZJBEQHXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Br2F8/c16-8-5-10(13(19,14(20,21)22)15(23,24)25)12(11(17)6-8)7-1-3-9(18)4-2-7/h1-6H.
What are the key properties of 1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene has a molecular weight of 498.01 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2-(4-fluorophenyl)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene is sourced from PubChem (CID 173054838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).