3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene

C20H12Br2F2O — CID 67889870

IUPAC3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene
SMILESCOc1cc(F)c(C2c3ccc(Br)cc3-c3cc(Br)ccc32)c(F)c1
InChIInChI=1S/C20H12Br2F2O/c1-25-12-8-17(23)20(18(24)9-12)19-13-4-2-10(21)6-15(13)16-7-11(22)3-5-14(16)19/h2-9,19H,1H3
InChIKeyZLOHXNKYKQDEFN-UHFFFAOYSA-N
MW466.12 g/mol
LogP6.66
Rot. Bonds2

About 3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene

3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene (PubChem CID 67889870) has the molecular formula C20H12Br2F2O and a molecular weight of 466.12 g/mol. Its IUPAC name is 3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene.

Molecular Properties

Compound Name3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene
PubChem CID67889870
Molecular FormulaC20H12Br2F2O
Molecular Weight466.12 g/mol
Exact Mass463.92
IUPAC Name3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene
SMILESCOc1cc(F)c(C2c3ccc(Br)cc3-c3cc(Br)ccc32)c(F)c1
InChIInChI=1S/C20H12Br2F2O/c1-25-12-8-17(23)20(18(24)9-12)19-13-4-2-10(21)6-15(13)16-7-11(22)3-5-14(16)19/h2-9,19H,1H3
InChIKeyZLOHXNKYKQDEFN-UHFFFAOYSA-N
XLogP6.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.12
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-2,3-difluoro-4'-methoxy-1,1'-biphenyl
CID 167296284
1-Bromo-2,3,5,6-tetrafluoro-4-(4-methoxyphenyl)benzene
CID 101884739
1-fluoro-9-(4-methoxyphenyl)-9H-fluorene
CID 135061174
9-Bromo-10-(2,6-difluoro-4-methoxyphenyl)phenanthrene
CID 154709387
1-Bromo-4-(4,4-difluoro-3-(4-methoxyphenyl)-1-phenylbut-3-en-1-yl)benzene
CID 168720186
1-Bromo-4-[3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]benzene
CID 177851840
1-bromo-4-[(Z)-2-fluoro-3-(4-methoxyphenyl)-1-phenylprop-2-enyl]benzene
CID 177852477
5-Bromo-1-(fluoromethyl)-3-methyl-2-(4-phenylmethoxyphenyl)benzene
CID 177853273
9-[(2-Bromo-5-methoxyphenyl)methylidene]fluorene
CID 13610051
9-[(2-Bromo-4-methoxyphenyl)methylidene]fluorene
CID 13610052
2,7-Dibromo-9-(4-(octyloxy)phenyl)-fluorene
CID 129825439
2-Bromo-9,9-bis(4-butoxyphenyl)-fluorene
CID 154574400

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene?
The IUPAC name of 3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene (CID 67889870) is 3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene.
What is the SMILES notation for 3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene?
The canonical SMILES for 3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene is COc1cc(F)c(C2c3ccc(Br)cc3-c3cc(Br)ccc32)c(F)c1.
What is the InChIKey of 3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene?
The InChIKey is ZLOHXNKYKQDEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2F2O/c1-25-12-8-17(23)20(18(24)9-12)19-13-4-2-10(21)6-15(13)16-7-11(22)3-5-14(16)19/h2-9,19H,1H3.
What are the key properties of 3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene?
3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene has a molecular weight of 466.12 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-(2,6-difluoro-4-methoxyphenyl)-9H-fluorene is sourced from PubChem (CID 67889870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).