6-bromo-2,2,3,3-tetrafluoro-1H-indene

C9H5BrF4 — CID 44631667

IUPAC6-bromo-2,2,3,3-tetrafluoro-1H-indene
SMILESFC1(F)Cc2cc(Br)ccc2C1(F)F
InChIInChI=1S/C9H5BrF4/c10-6-1-2-7-5(3-6)4-8(11,12)9(7,13)14/h1-3H,4H2
InChIKeyJBWCERPEDBBVSS-UHFFFAOYSA-N
MW269.03 g/mol
LogP3.73
Rot. Bonds

About 6-bromo-2,2,3,3-tetrafluoro-1H-indene

6-bromo-2,2,3,3-tetrafluoro-1H-indene (PubChem CID 44631667) has the molecular formula C9H5BrF4 and a molecular weight of 269.03 g/mol. Its IUPAC name is 6-bromo-2,2,3,3-tetrafluoro-1H-indene.

Molecular Properties

Compound Name6-bromo-2,2,3,3-tetrafluoro-1H-indene
PubChem CID44631667
Molecular FormulaC9H5BrF4
Molecular Weight269.03 g/mol
Exact Mass267.95
IUPAC Name6-bromo-2,2,3,3-tetrafluoro-1H-indene
SMILESFC1(F)Cc2cc(Br)ccc2C1(F)F
InChIInChI=1S/C9H5BrF4/c10-6-1-2-7-5(3-6)4-8(11,12)9(7,13)14/h1-3H,4H2
InChIKeyJBWCERPEDBBVSS-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.03
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,2,3,3-tetrafluoro-1H-indene?
The IUPAC name of 6-bromo-2,2,3,3-tetrafluoro-1H-indene (CID 44631667) is 6-bromo-2,2,3,3-tetrafluoro-1H-indene.
What is the SMILES notation for 6-bromo-2,2,3,3-tetrafluoro-1H-indene?
The canonical SMILES for 6-bromo-2,2,3,3-tetrafluoro-1H-indene is FC1(F)Cc2cc(Br)ccc2C1(F)F.
What is the InChIKey of 6-bromo-2,2,3,3-tetrafluoro-1H-indene?
The InChIKey is JBWCERPEDBBVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF4/c10-6-1-2-7-5(3-6)4-8(11,12)9(7,13)14/h1-3H,4H2.
What are the key properties of 6-bromo-2,2,3,3-tetrafluoro-1H-indene?
6-bromo-2,2,3,3-tetrafluoro-1H-indene has a molecular weight of 269.03 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2,3,3-tetrafluoro-1H-indene is sourced from PubChem (CID 44631667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).