methyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium

C14H11F4O+ — CID 13184171

IUPACmethyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium
SMILESC/[O+]=C1\C=CC2CC1(C)c1c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C14H11F4O/c1-14-5-6(3-4-7(14)19-2)8-9(14)11(16)13(18)12(17)10(8)15/h3-4,6H,5H2,1-2H3/q+1
InChIKeyLNLPESIVSPLAND-UHFFFAOYSA-N
MW271.23 g/mol
LogP3.29
Rot. Bonds

About methyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium

methyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium (PubChem CID 13184171) has the molecular formula C14H11F4O+ and a molecular weight of 271.23 g/mol. Its IUPAC name is methyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium.

Molecular Properties

Compound Namemethyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium
PubChem CID13184171
Molecular FormulaC14H11F4O+
Molecular Weight271.23 g/mol
Exact Mass271.07
IUPAC Namemethyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium
SMILESC/[O+]=C1\C=CC2CC1(C)c1c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C14H11F4O/c1-14-5-6(3-4-7(14)19-2)8-9(14)11(16)13(18)12(17)10(8)15/h3-4,6H,5H2,1-2H3/q+1
InChIKeyLNLPESIVSPLAND-UHFFFAOYSA-N
XLogP3.29
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'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 methyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium?
The IUPAC name of methyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium (CID 13184171) is methyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium.
What is the SMILES notation for methyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium?
The canonical SMILES for methyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium is C/[O+]=C1\C=CC2CC1(C)c1c(F)c(F)c(F)c(F)c12.
What is the InChIKey of methyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium?
The InChIKey is LNLPESIVSPLAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4O/c1-14-5-6(3-4-7(14)19-2)8-9(14)11(16)13(18)12(17)10(8)15/h3-4,6H,5H2,1-2H3/q+1.
What are the key properties of methyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium?
methyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium has a molecular weight of 271.23 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3,4,5,6-tetrafluoro-8-methyl-9-tricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraenylidene)oxidanium is sourced from PubChem (CID 13184171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).