3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine

C13H2F11N — CID 165350362

IUPAC3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine
SMILESFc1c(F)c(F)c(-c2cc(C(F)(F)F)cnc2C(F)(F)F)c(F)c1F
InChIInChI=1S/C13H2F11N/c14-6-5(7(15)9(17)10(18)8(6)16)4-1-3(12(19,20)21)2-25-11(4)13(22,23)24/h1-2H
InChIKeyQEDPSUKBDFZHOH-UHFFFAOYSA-N
MW381.14 g/mol
LogP5.48
Rot. Bonds1

About 3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine

3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine (PubChem CID 165350362) has the molecular formula C13H2F11N and a molecular weight of 381.14 g/mol. Its IUPAC name is 3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine
PubChem CID165350362
Molecular FormulaC13H2F11N
Molecular Weight381.14 g/mol
Exact Mass381.00
IUPAC Name3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine
SMILESFc1c(F)c(F)c(-c2cc(C(F)(F)F)cnc2C(F)(F)F)c(F)c1F
InChIInChI=1S/C13H2F11N/c14-6-5(7(15)9(17)10(18)8(6)16)4-1-3(12(19,20)21)2-25-11(4)13(22,23)24/h1-2H
InChIKeyQEDPSUKBDFZHOH-UHFFFAOYSA-N
XLogP5.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.14
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine?
The IUPAC name of 3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine (CID 165350362) is 3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine?
The canonical SMILES for 3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine is Fc1c(F)c(F)c(-c2cc(C(F)(F)F)cnc2C(F)(F)F)c(F)c1F.
What is the InChIKey of 3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine?
The InChIKey is QEDPSUKBDFZHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H2F11N/c14-6-5(7(15)9(17)10(18)8(6)16)4-1-3(12(19,20)21)2-25-11(4)13(22,23)24/h1-2H.
What are the key properties of 3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine?
3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine has a molecular weight of 381.14 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5,6-pentafluorophenyl)-2,5-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 165350362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).