2-bromo-9,9-diethyl-7-fluorofluorene

C17H16BrF — CID 141411425

IUPAC2-bromo-9,9-diethyl-7-fluorofluorene
SMILESCCC1(CC)c2cc(F)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C17H16BrF/c1-3-17(4-2)15-9-11(18)5-7-13(15)14-8-6-12(19)10-16(14)17/h5-10H,3-4H2,1-2H3
InChIKeyYMDNUDXZVSZLDM-UHFFFAOYSA-N
MW319.22 g/mol
LogP5.67
Rot. Bonds2

About 2-bromo-9,9-diethyl-7-fluorofluorene

2-bromo-9,9-diethyl-7-fluorofluorene (PubChem CID 141411425) has the molecular formula C17H16BrF and a molecular weight of 319.22 g/mol. Its IUPAC name is 2-bromo-9,9-diethyl-7-fluorofluorene.

Molecular Properties

Compound Name2-bromo-9,9-diethyl-7-fluorofluorene
PubChem CID141411425
Molecular FormulaC17H16BrF
Molecular Weight319.22 g/mol
Exact Mass318.04
IUPAC Name2-bromo-9,9-diethyl-7-fluorofluorene
SMILESCCC1(CC)c2cc(F)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C17H16BrF/c1-3-17(4-2)15-9-11(18)5-7-13(15)14-8-6-12(19)10-16(14)17/h5-10H,3-4H2,1-2H3
InChIKeyYMDNUDXZVSZLDM-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.22
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-diethyl-7-fluorofluorene?
The IUPAC name of 2-bromo-9,9-diethyl-7-fluorofluorene (CID 141411425) is 2-bromo-9,9-diethyl-7-fluorofluorene.
What is the SMILES notation for 2-bromo-9,9-diethyl-7-fluorofluorene?
The canonical SMILES for 2-bromo-9,9-diethyl-7-fluorofluorene is CCC1(CC)c2cc(F)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-bromo-9,9-diethyl-7-fluorofluorene?
The InChIKey is YMDNUDXZVSZLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF/c1-3-17(4-2)15-9-11(18)5-7-13(15)14-8-6-12(19)10-16(14)17/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-bromo-9,9-diethyl-7-fluorofluorene?
2-bromo-9,9-diethyl-7-fluorofluorene has a molecular weight of 319.22 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-diethyl-7-fluorofluorene is sourced from PubChem (CID 141411425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).