3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

C14H10F4 — CID 12885703

IUPAC3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESC=CC=C1C2CCC1c1c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C14H10F4/c1-2-3-6-7-4-5-8(6)10-9(7)11(15)13(17)14(18)12(10)16/h2-3,7-8H,1,4-5H2
InChIKeyWJCJMQBGYLBEGV-UHFFFAOYSA-N
MW254.23 g/mol
LogP4.33
Rot. Bonds1

About 3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 12885703) has the molecular formula C14H10F4 and a molecular weight of 254.23 g/mol. Its IUPAC name is 3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID12885703
Molecular FormulaC14H10F4
Molecular Weight254.23 g/mol
Exact Mass254.07
IUPAC Name3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESC=CC=C1C2CCC1c1c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C14H10F4/c1-2-3-6-7-4-5-8(6)10-9(7)11(15)13(17)14(18)12(10)16/h2-3,7-8H,1,4-5H2
InChIKeyWJCJMQBGYLBEGV-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 54.33
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 3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of 3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 12885703) is 3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for 3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for 3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is C=CC=C1C2CCC1c1c(F)c(F)c(F)c(F)c12.
What is the InChIKey of 3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is WJCJMQBGYLBEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4/c1-2-3-6-7-4-5-8(6)10-9(7)11(15)13(17)14(18)12(10)16/h2-3,7-8H,1,4-5H2.
What are the key properties of 3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 254.23 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrafluoro-11-prop-2-enylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 12885703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).