1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene

C10Cl3F7 — CID 12516163

IUPAC1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(Cl)=C(C(F)(F)F)C2(Cl)Cl
InChIInChI=1S/C10Cl3F7/c11-3-1-2(5(15)7(17)6(16)4(1)14)9(12,13)8(3)10(18,19)20
InChIKeyOVGZMQMEAJDZTO-UHFFFAOYSA-N
MW359.46 g/mol
LogP5.40
Rot. Bonds

About 1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene

1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene (PubChem CID 12516163) has the molecular formula C10Cl3F7 and a molecular weight of 359.46 g/mol. Its IUPAC name is 1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene.

Molecular Properties

Compound Name1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene
PubChem CID12516163
Molecular FormulaC10Cl3F7
Molecular Weight359.46 g/mol
Exact Mass357.90
IUPAC Name1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(Cl)=C(C(F)(F)F)C2(Cl)Cl
InChIInChI=1S/C10Cl3F7/c11-3-1-2(5(15)7(17)6(16)4(1)14)9(12,13)8(3)10(18,19)20
InChIKeyOVGZMQMEAJDZTO-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.46
LogP ≤ 55.40
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'}

Analyze 1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene?
The IUPAC name of 1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene (CID 12516163) is 1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene.
What is the SMILES notation for 1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene?
The canonical SMILES for 1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene is Fc1c(F)c(F)c2c(c1F)C(Cl)=C(C(F)(F)F)C2(Cl)Cl.
What is the InChIKey of 1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene?
The InChIKey is OVGZMQMEAJDZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl3F7/c11-3-1-2(5(15)7(17)6(16)4(1)14)9(12,13)8(3)10(18,19)20.
What are the key properties of 1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene?
1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene has a molecular weight of 359.46 g/mol, XLogP of 5.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trichloro-4,5,6,7-tetrafluoro-2-(trifluoromethyl)indene is sourced from PubChem (CID 12516163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).