2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine

C5F6N2 — CID 23235412

IUPAC2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine
SMILESFc1nc(F)c(C(F)(F)F)c(F)n1
InChIInChI=1S/C5F6N2/c6-2-1(5(9,10)11)3(7)13-4(8)12-2
InChIKeyLUOWQRCVEYJUJS-UHFFFAOYSA-N
MW202.06 g/mol
LogP1.91
Rot. Bonds

About 2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine

2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine (PubChem CID 23235412) has the molecular formula C5F6N2 and a molecular weight of 202.06 g/mol. Its IUPAC name is 2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine
PubChem CID23235412
Molecular FormulaC5F6N2
Molecular Weight202.06 g/mol
Exact Mass202.00
IUPAC Name2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine
SMILESFc1nc(F)c(C(F)(F)F)c(F)n1
InChIInChI=1S/C5F6N2/c6-2-1(5(9,10)11)3(7)13-4(8)12-2
InChIKeyLUOWQRCVEYJUJS-UHFFFAOYSA-N
XLogP1.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrimidine, 5-chloro-2,4,6-trifluoro-
CID 69679
2,4,5,6-Tetrafluoropyrimidine
CID 136605
2,5,6-Trifluoropyrimidin-4-amine
CID 13287430
Trifluorochloropyrimidine
CID 21919377
4-Chloro-5-(difluoromethyl)-2,6-difluoropyrimidine
CID 19842656
5-(Difluoromethyl)-2,4,6-trifluoropyrimidine
CID 21434368
2,4,6-Trifluoropyrimidine-5-carbonitrile
CID 23235414
2,4,6-Trichloro-5-(difluoromethyl)pyrimidine
CID 129532566
N,N-dichloro-2,5,6-trifluoropyrimidin-4-amine
CID 85924607
2,4,5-Trifluoro-6-iodopyrimidine
CID 134868330
2,4,6-Tribromo-5-(trifluoromethyl)pyrimidine
CID 134914841
4-Azido-2,5,6-trifluoropyrimidine
CID 12596724

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine (CID 23235412) is 2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine is Fc1nc(F)c(C(F)(F)F)c(F)n1.
What is the InChIKey of 2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine?
The InChIKey is LUOWQRCVEYJUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F6N2/c6-2-1(5(9,10)11)3(7)13-4(8)12-2.
What are the key properties of 2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine?
2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine has a molecular weight of 202.06 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 23235412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).