3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene

C10ClF9 — CID 12516164

IUPAC3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(Cl)=C(C(F)(F)F)C2(F)F
InChIInChI=1S/C10ClF9/c11-3-1-2(5(13)7(15)6(14)4(1)12)9(16,17)8(3)10(18,19)20
InChIKeyXIKLHPUUDUMLIH-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.86
Rot. Bonds

About 3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene

3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene (PubChem CID 12516164) has the molecular formula C10ClF9 and a molecular weight of 326.55 g/mol. Its IUPAC name is 3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene.

Molecular Properties

Compound Name3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene
PubChem CID12516164
Molecular FormulaC10ClF9
Molecular Weight326.55 g/mol
Exact Mass325.95
IUPAC Name3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(Cl)=C(C(F)(F)F)C2(F)F
InChIInChI=1S/C10ClF9/c11-3-1-2(5(13)7(15)6(14)4(1)12)9(16,17)8(3)10(18,19)20
InChIKeyXIKLHPUUDUMLIH-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene?
The IUPAC name of 3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene (CID 12516164) is 3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene.
What is the SMILES notation for 3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene?
The canonical SMILES for 3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene is Fc1c(F)c(F)c2c(c1F)C(Cl)=C(C(F)(F)F)C2(F)F.
What is the InChIKey of 3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene?
The InChIKey is XIKLHPUUDUMLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10ClF9/c11-3-1-2(5(13)7(15)6(14)4(1)12)9(16,17)8(3)10(18,19)20.
What are the key properties of 3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene?
3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene has a molecular weight of 326.55 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene is sourced from PubChem (CID 12516164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).