3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one

C10Cl2F6O — CID 15517472

IUPAC3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one
SMILESO=C1c2c(F)c(F)c(F)c(F)c2C(=C(Cl)Cl)C1(F)F
InChIInChI=1S/C10Cl2F6O/c11-9(12)3-1-2(8(19)10(3,17)18)5(14)7(16)6(15)4(1)13
InChIKeyCACBJYRUBUGOQC-UHFFFAOYSA-N
MW321.00 g/mol
LogP4.22
Rot. Bonds

About 3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one

3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one (PubChem CID 15517472) has the molecular formula C10Cl2F6O and a molecular weight of 321.00 g/mol. Its IUPAC name is 3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one.

Molecular Properties

Compound Name3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one
PubChem CID15517472
Molecular FormulaC10Cl2F6O
Molecular Weight321.00 g/mol
Exact Mass319.92
IUPAC Name3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one
SMILESO=C1c2c(F)c(F)c(F)c(F)c2C(=C(Cl)Cl)C1(F)F
InChIInChI=1S/C10Cl2F6O/c11-9(12)3-1-2(8(19)10(3,17)18)5(14)7(16)6(15)4(1)13
InChIKeyCACBJYRUBUGOQC-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.00
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene
CID 12696020
2,3,5,6,7,8-hexafluoro-1,4-dioxonaphthalene-2,3-dicarbonitrile
CID 174652908
(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid
CID 141039667
5,6,7,8-tetrafluoro-2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
CID 16739283
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
CID 134617411
1,3,3,4,4,5,5,6,6-nonafluoro-2-(2,3,4,5,6-pentafluorophenyl)cyclohexene
CID 13226577
(1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6-pentafluorophenoxy)borinic acid
CID 141052407
2,3-bis(2-chloroethylsulfanyl)-5,6,7,8-tetrafluoronaphthalene-1,4-dione
CID 142763748
(1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane
CID 141052222
5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene
CID 58854972
(3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene
CID 5378372
1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 15490453

Frequently Asked Questions

What is the IUPAC name of 3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one?
The IUPAC name of 3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one (CID 15517472) is 3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one.
What is the SMILES notation for 3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one?
The canonical SMILES for 3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one is O=C1c2c(F)c(F)c(F)c(F)c2C(=C(Cl)Cl)C1(F)F.
What is the InChIKey of 3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one?
The InChIKey is CACBJYRUBUGOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl2F6O/c11-9(12)3-1-2(8(19)10(3,17)18)5(14)7(16)6(15)4(1)13.
What are the key properties of 3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one?
3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one has a molecular weight of 321.00 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one is sourced from PubChem (CID 15517472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).