3-bromo-6-chloro-9,9-difluorofluorene

C13H6BrClF2 — CID 134271927

IUPAC3-bromo-6-chloro-9,9-difluorofluorene
SMILESFC1(F)c2ccc(Cl)cc2-c2cc(Br)ccc21
InChIInChI=1S/C13H6BrClF2/c14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)13(11,16)17/h1-6H
InChIKeyKIAWKHHTXZCHIF-UHFFFAOYSA-N
MW315.54 g/mol
LogP5.22
Rot. Bonds

About 3-bromo-6-chloro-9,9-difluorofluorene

3-bromo-6-chloro-9,9-difluorofluorene (PubChem CID 134271927) has the molecular formula C13H6BrClF2 and a molecular weight of 315.54 g/mol. Its IUPAC name is 3-bromo-6-chloro-9,9-difluorofluorene.

Molecular Properties

Compound Name3-bromo-6-chloro-9,9-difluorofluorene
PubChem CID134271927
Molecular FormulaC13H6BrClF2
Molecular Weight315.54 g/mol
Exact Mass313.93
IUPAC Name3-bromo-6-chloro-9,9-difluorofluorene
SMILESFC1(F)c2ccc(Cl)cc2-c2cc(Br)ccc21
InChIInChI=1S/C13H6BrClF2/c14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)13(11,16)17/h1-6H
InChIKeyKIAWKHHTXZCHIF-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.54
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-9,9-difluorofluorene?
The IUPAC name of 3-bromo-6-chloro-9,9-difluorofluorene (CID 134271927) is 3-bromo-6-chloro-9,9-difluorofluorene.
What is the SMILES notation for 3-bromo-6-chloro-9,9-difluorofluorene?
The canonical SMILES for 3-bromo-6-chloro-9,9-difluorofluorene is FC1(F)c2ccc(Cl)cc2-c2cc(Br)ccc21.
What is the InChIKey of 3-bromo-6-chloro-9,9-difluorofluorene?
The InChIKey is KIAWKHHTXZCHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF2/c14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)13(11,16)17/h1-6H.
What are the key properties of 3-bromo-6-chloro-9,9-difluorofluorene?
3-bromo-6-chloro-9,9-difluorofluorene has a molecular weight of 315.54 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-9,9-difluorofluorene is sourced from PubChem (CID 134271927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).