4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine

C18H10F6N2 — CID 118817860

IUPAC4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccccc1-c1cc(-c2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C18H10F6N2/c19-17(20,21)13-7-3-1-5-11(13)15-9-16(26-10-25-15)12-6-2-4-8-14(12)18(22,23)24/h1-10H
InChIKeyPEQBLCKLHZYUMM-UHFFFAOYSA-N
MW368.28 g/mol
LogP5.85
Rot. Bonds2

About 4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine

4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 118817860) has the molecular formula C18H10F6N2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
PubChem CID118817860
Molecular FormulaC18H10F6N2
Molecular Weight368.28 g/mol
Exact Mass368.07
IUPAC Name4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccccc1-c1cc(-c2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C18H10F6N2/c19-17(20,21)13-7-3-1-5-11(13)15-9-16(26-10-25-15)12-6-2-4-8-14(12)18(22,23)24/h1-10H
InChIKeyPEQBLCKLHZYUMM-UHFFFAOYSA-N
XLogP5.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.28
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine (CID 118817860) is 4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccccc1-c1cc(-c2ccccc2C(F)(F)F)ncn1.
What is the InChIKey of 4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is PEQBLCKLHZYUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N2/c19-17(20,21)13-7-3-1-5-11(13)15-9-16(26-10-25-15)12-6-2-4-8-14(12)18(22,23)24/h1-10H.
What are the key properties of 4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine?
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 368.28 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 118817860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).