3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene

C21H16BrF — CID 142515722

IUPAC3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(Br)c3F)ccc21
InChIInChI=1S/C21H16BrF/c1-21(2)17-8-4-3-6-15(17)16-12-13(10-11-18(16)21)14-7-5-9-19(22)20(14)23/h3-12H,1-2H3
InChIKeyZOTQDQYHXZHFPV-UHFFFAOYSA-N
MW367.26 g/mol
LogP6.56
Rot. Bonds1

About 3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene

3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene (PubChem CID 142515722) has the molecular formula C21H16BrF and a molecular weight of 367.26 g/mol. Its IUPAC name is 3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene
PubChem CID142515722
Molecular FormulaC21H16BrF
Molecular Weight367.26 g/mol
Exact Mass366.04
IUPAC Name3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(Br)c3F)ccc21
InChIInChI=1S/C21H16BrF/c1-21(2)17-8-4-3-6-15(17)16-12-13(10-11-18(16)21)14-7-5-9-19(22)20(14)23/h3-12H,1-2H3
InChIKeyZOTQDQYHXZHFPV-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.26
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-fluoro-9,9-dimethylfluorene
CID 130217991
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
3-(3-tert-butylphenyl)-9,9-dimethylfluorene
CID 167353665
2-bromo-6-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)benzenethiol
CID 118361104
3-(4-tert-butyl-3-fluorophenyl)-9,9-dimethylfluorene
CID 90264154
8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282369
3-(3-bromo-2-fluorophenyl)aniline
CID 106646301
2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene
CID 90266642
9,9-dimethyl-3-(2-nitrophenyl)fluorene
CID 134530448
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
3-(3-tert-butyl-5-fluorophenyl)-9,9-dimethylfluorene
CID 90264105

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene?
The IUPAC name of 3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene (CID 142515722) is 3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene?
The canonical SMILES for 3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2cc(-c3cccc(Br)c3F)ccc21.
What is the InChIKey of 3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene?
The InChIKey is ZOTQDQYHXZHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrF/c1-21(2)17-8-4-3-6-15(17)16-12-13(10-11-18(16)21)14-7-5-9-19(22)20(14)23/h3-12H,1-2H3.
What are the key properties of 3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene?
3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene has a molecular weight of 367.26 g/mol, XLogP of 6.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 142515722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).