5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine

C18H10F6N2 — CID 20708926

IUPAC5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine
SMILESFCCc1cc(F)c(-c2cnc(-c3cc(F)c(F)c(F)c3)nc2)c(F)c1
InChIInChI=1S/C18H10F6N2/c19-2-1-9-3-12(20)16(13(21)4-9)11-7-25-18(26-8-11)10-5-14(22)17(24)15(23)6-10/h3-8H,1-2H2
InChIKeyHHGOICKKPPYFDM-UHFFFAOYSA-N
MW368.28 g/mol
LogP5.02
Rot. Bonds4

About 5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine

5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine (PubChem CID 20708926) has the molecular formula C18H10F6N2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine
PubChem CID20708926
Molecular FormulaC18H10F6N2
Molecular Weight368.28 g/mol
Exact Mass368.07
IUPAC Name5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine
SMILESFCCc1cc(F)c(-c2cnc(-c3cc(F)c(F)c(F)c3)nc2)c(F)c1
InChIInChI=1S/C18H10F6N2/c19-2-1-9-3-12(20)16(13(21)4-9)11-7-25-18(26-8-11)10-5-14(22)17(24)15(23)6-10/h3-8H,1-2H2
InChIKeyHHGOICKKPPYFDM-UHFFFAOYSA-N
XLogP5.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.28
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine?
The IUPAC name of 5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine (CID 20708926) is 5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine.
What is the SMILES notation for 5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine?
The canonical SMILES for 5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine is FCCc1cc(F)c(-c2cnc(-c3cc(F)c(F)c(F)c3)nc2)c(F)c1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine?
The InChIKey is HHGOICKKPPYFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N2/c19-2-1-9-3-12(20)16(13(21)4-9)11-7-25-18(26-8-11)10-5-14(22)17(24)15(23)6-10/h3-8H,1-2H2.
What are the key properties of 5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine?
5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine has a molecular weight of 368.28 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-fluoroethyl)phenyl]-2-(3,4,5-trifluorophenyl)pyrimidine is sourced from PubChem (CID 20708926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).