2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine

C6HF7N2O — CID 15022713

IUPAC2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine
SMILESFc1nc(OC(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C6HF7N2O/c7-4-14-2(5(8,9)10)1-3(15-4)16-6(11,12)13/h1H
InChIKeyYIDXXZVUTPZXJO-UHFFFAOYSA-N
MW250.07 g/mol
LogP2.53
Rot. Bonds1

About 2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine

2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine (PubChem CID 15022713) has the molecular formula C6HF7N2O and a molecular weight of 250.07 g/mol. Its IUPAC name is 2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine
PubChem CID15022713
Molecular FormulaC6HF7N2O
Molecular Weight250.07 g/mol
Exact Mass250.00
IUPAC Name2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine
SMILESFc1nc(OC(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C6HF7N2O/c7-4-14-2(5(8,9)10)1-3(15-4)16-6(11,12)13/h1H
InChIKeyYIDXXZVUTPZXJO-UHFFFAOYSA-N
XLogP2.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dimethoxy-6-methylpyrimidine
CID 269820
4-Methoxy-6-methylpyrimidin-2-amine
CID 587236
4-Methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine
CID 2246718
4-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-heptyloxy)-6-methyl-pyrimidin-2-ylamine
CID 3109471
4-Methoxy-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 248064
4-Methoxy-6-methylpyrimidine
CID 11959085
2,4-Diethoxy-6-methylpyrimidine
CID 260112
2-Chloro-4-methoxy-6-methylpyrimidine
CID 12490571
4-Methoxy-2,6-dimethylpyrimidine
CID 12387338
N,N-diethyl-4-methoxy-6-methylpyrimidin-2-amine
CID 13789821
4-(Difluoromethoxy)-6-methylpyrimidin-2-amine
CID 2817390
2-Chloro-4-methoxy-6-(trifluoromethyl)pyrimidine
CID 19100561

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine (CID 15022713) is 2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine is Fc1nc(OC(F)(F)F)cc(C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine?
The InChIKey is YIDXXZVUTPZXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF7N2O/c7-4-14-2(5(8,9)10)1-3(15-4)16-6(11,12)13/h1H.
What are the key properties of 2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine?
2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine has a molecular weight of 250.07 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 15022713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).