1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene

C9ClF9 — CID 12701531

IUPAC1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(F)Cl
InChIInChI=1S/C9ClF9/c10-7(15)1-2(8(16,17)9(7,18)19)4(12)6(14)5(13)3(1)11
InChIKeyOTLKPKODJUTXBJ-UHFFFAOYSA-N
MW314.53 g/mol
LogP4.34
Rot. Bonds

About 1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene

1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene (PubChem CID 12701531) has the molecular formula C9ClF9 and a molecular weight of 314.53 g/mol. Its IUPAC name is 1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene.

Molecular Properties

Compound Name1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene
PubChem CID12701531
Molecular FormulaC9ClF9
Molecular Weight314.53 g/mol
Exact Mass313.95
IUPAC Name1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(F)Cl
InChIInChI=1S/C9ClF9/c10-7(15)1-2(8(16,17)9(7,18)19)4(12)6(14)5(13)3(1)11
InChIKeyOTLKPKODJUTXBJ-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene?
The IUPAC name of 1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene (CID 12701531) is 1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene.
What is the SMILES notation for 1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene?
The canonical SMILES for 1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene is Fc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(F)Cl.
What is the InChIKey of 1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene?
The InChIKey is OTLKPKODJUTXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9ClF9/c10-7(15)1-2(8(16,17)9(7,18)19)4(12)6(14)5(13)3(1)11.
What are the key properties of 1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene?
1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene has a molecular weight of 314.53 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2,2,3,3,4,5,6,7-nonafluoroindene is sourced from PubChem (CID 12701531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).