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

C10Cl2F8 — CID 12696020

IUPAC2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(=C(Cl)Cl)C2(F)F
InChIInChI=1S/C10Cl2F8/c11-8(12)7-9(17,18)1-2(10(7,19)20)4(14)6(16)5(15)3(1)13
InChIKeyWTGRAIISOLPVIJ-UHFFFAOYSA-N
MW343.00 g/mol
LogP5.13
Rot. Bonds

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

2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene (PubChem CID 12696020) has the molecular formula C10Cl2F8 and a molecular weight of 343.00 g/mol. Its IUPAC name is 2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene.

Molecular Properties

Compound Name2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene
PubChem CID12696020
Molecular FormulaC10Cl2F8
Molecular Weight343.00 g/mol
Exact Mass341.92
IUPAC Name2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(=C(Cl)Cl)C2(F)F
InChIInChI=1S/C10Cl2F8/c11-8(12)7-9(17,18)1-2(10(7,19)20)4(14)6(16)5(15)3(1)13
InChIKeyWTGRAIISOLPVIJ-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.00
LogP ≤ 55.13
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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Related Compounds

3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one
CID 15517472
1,1,3,3,4,5,6,7-octafluoro-2-benzofuran
CID 14195971
(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid
CID 141039667
1,1,2,4,5,6,7-heptafluoroindene
CID 23234372
5,5,6,7,7,12,12,13,14,14-decafluoro-1,2,3,4,8,9,10,11-octamethylpentacene
CID 58854972
(1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride
CID 134506144
2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 12566761
(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)borinic acid
CID 141042425
2,3,4,5,7,8-hexafluoro-7-(2,3,5,6-tetrafluorophenyl)-8-(2,4,6-trifluorophenyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 171365948
1,1,2,2,3,3,4,4,5,6,7,8,9,10,11,12-hexadecafluorochrysene
CID 12588586
(1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane
CID 134333725
(1,2,3,4,5,6,7-heptafluoroinden-1-yl)-(2,3,4,5,6-pentafluorophenoxy)borinic acid
CID 141052407

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene?
The IUPAC name of 2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene (CID 12696020) is 2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene.
What is the SMILES notation for 2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene?
The canonical SMILES for 2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene is Fc1c(F)c(F)c2c(c1F)C(F)(F)C(=C(Cl)Cl)C2(F)F.
What is the InChIKey of 2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene?
The InChIKey is WTGRAIISOLPVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl2F8/c11-8(12)7-9(17,18)1-2(10(7,19)20)4(14)6(16)5(15)3(1)13.
What are the key properties of 2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene?
2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene has a molecular weight of 343.00 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethylidene)-1,1,3,3,4,5,6,7-octafluoroindene is sourced from PubChem (CID 12696020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).