1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene

C11F14 — CID 630113

IUPAC1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(C(F)(F)F)C2(F)C(F)(F)F
InChIInChI=1S/C11F14/c12-3-1-2(4(13)6(15)5(3)14)8(17,18)9(19,11(23,24)25)7(1,16)10(20,21)22
InChIKeyXBWIYMBHUAYABJ-UHFFFAOYSA-N
MW398.09 g/mol
LogP5.35
Rot. Bonds

About 1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene

1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene (PubChem CID 630113) has the molecular formula C11F14 and a molecular weight of 398.09 g/mol. Its IUPAC name is 1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene.

Molecular Properties

Compound Name1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene
PubChem CID630113
Molecular FormulaC11F14
Molecular Weight398.09 g/mol
Exact Mass397.98
IUPAC Name1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(C(F)(F)F)C2(F)C(F)(F)F
InChIInChI=1S/C11F14/c12-3-1-2(4(13)6(15)5(3)14)8(17,18)9(19,11(23,24)25)7(1,16)10(20,21)22
InChIKeyXBWIYMBHUAYABJ-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.09
LogP ≤ 55.35
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 1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene?
The IUPAC name of 1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene (CID 630113) is 1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene.
What is the SMILES notation for 1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene?
The canonical SMILES for 1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene is Fc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(C(F)(F)F)C2(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene?
The InChIKey is XBWIYMBHUAYABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F14/c12-3-1-2(4(13)6(15)5(3)14)8(17,18)9(19,11(23,24)25)7(1,16)10(20,21)22.
What are the key properties of 1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene?
1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene has a molecular weight of 398.09 g/mol, XLogP of 5.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,5,6,7-octafluoro-2,3-bis(trifluoromethyl)indene is sourced from PubChem (CID 630113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).