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

C18H10F6N2 — CID 174722117

IUPAC2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccccc1-c1ccnc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H10F6N2/c19-17(20,21)13-7-3-1-5-11(13)15-9-10-25-16(26-15)12-6-2-4-8-14(12)18(22,23)24/h1-10H
InChIKeyJLEWCSLXKXAFOR-UHFFFAOYSA-N
MW368.28 g/mol
LogP5.85
Rot. Bonds2

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

2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 174722117) has the molecular formula C18H10F6N2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
PubChem CID174722117
Molecular FormulaC18H10F6N2
Molecular Weight368.28 g/mol
Exact Mass368.07
IUPAC Name2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccccc1-c1ccnc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H10F6N2/c19-17(20,21)13-7-3-1-5-11(13)15-9-10-25-16(26-15)12-6-2-4-8-14(12)18(22,23)24/h1-10H
InChIKeyJLEWCSLXKXAFOR-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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Related Compounds

4-[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]benzoic acid
CID 11493928
[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine
CID 46785114
2-[2-(trifluoromethyl)phenyl]quinazoline
CID 67571901
1-[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 74234331
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 174722143
4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine
CID 171365545
2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine
CID 118997710
3-[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole
CID 22365979
N-[amino-[[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]methylidene]-N'-methylmethanimidamide
CID 143002485
6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine (CID 174722117) is 2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccccc1-c1ccnc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is JLEWCSLXKXAFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N2/c19-17(20,21)13-7-3-1-5-11(13)15-9-10-25-16(26-15)12-6-2-4-8-14(12)18(22,23)24/h1-10H.
What are the key properties of 2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine?
2,4-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 2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 174722117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).