(3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene

C11F12 — CID 5378372

IUPAC(3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene
SMILESF/C(=C1\c2c(F)c(F)c(F)c(F)c2C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C11F12/c12-4-1-2(5(13)7(15)6(4)14)9(17,18)10(19,20)3(1)8(16)11(21,22)23/b8-3+
InChIKeyYWKKQILMYVHRJG-FPYGCLRLSA-N
MW360.10 g/mol
LogP5.23
Rot. Bonds

About (3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene

(3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene (PubChem CID 5378372) has the molecular formula C11F12 and a molecular weight of 360.10 g/mol. Its IUPAC name is (3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene.

Molecular Properties

Compound Name(3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene
PubChem CID5378372
Molecular FormulaC11F12
Molecular Weight360.10 g/mol
Exact Mass359.98
IUPAC Name(3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene
SMILESF/C(=C1\c2c(F)c(F)c(F)c(F)c2C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C11F12/c12-4-1-2(5(13)7(15)6(4)14)9(17,18)10(19,20)3(1)8(16)11(21,22)23/b8-3+
InChIKeyYWKKQILMYVHRJG-FPYGCLRLSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.10
LogP ≤ 55.23
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 12566761
2,3,4,5,7,7-hexafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 13492595
2,3,4,5,8,8-hexafluoro-7-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
CID 626457
3,3,4,4,5,6,7,8-octafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-one
CID 175771436
1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene
CID 11078885
2,3,4,5,8,8-hexafluoro-7-[2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
CID 15312175
4-[2,3,4,5-tetrafluoro-6-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]phenyl]phenol
CID 141196647
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CID 141039667
3-(dichloromethylidene)-2,2,4,5,6,7-hexafluoroinden-1-one
CID 15517472
1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 23236517
(7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 125496698
1,1,2,2,3,4,5,6,7,8-decafluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene
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Frequently Asked Questions

What is the IUPAC name of (3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene?
The IUPAC name of (3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene (CID 5378372) is (3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene.
What is the SMILES notation for (3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene?
The canonical SMILES for (3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene is F/C(=C1\c2c(F)c(F)c(F)c(F)c2C(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of (3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene?
The InChIKey is YWKKQILMYVHRJG-FPYGCLRLSA-N. The full InChI is InChI=1S/C11F12/c12-4-1-2(5(13)7(15)6(4)14)9(17,18)10(19,20)3(1)8(16)11(21,22)23/b8-3+.
What are the key properties of (3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene?
(3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene has a molecular weight of 360.10 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene is sourced from PubChem (CID 5378372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).