4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine

C8H9F3N2O — CID 166817904

IUPAC4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine
SMILESCc1ccnc(O[C@H](C)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c1-5-3-4-12-7(13-5)14-6(2)8(9,10)11/h3-4,6H,1-2H3/t6-/m1/s1
InChIKeyDDHWBNFVBKGPMZ-ZCFIWIBFSA-N
MW206.17 g/mol
LogP2.11
Rot. Bonds2

About 4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine

4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine (PubChem CID 166817904) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine
PubChem CID166817904
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine
SMILESCc1ccnc(O[C@H](C)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c1-5-3-4-12-7(13-5)14-6(2)8(9,10)11/h3-4,6H,1-2H3/t6-/m1/s1
InChIKeyDDHWBNFVBKGPMZ-ZCFIWIBFSA-N
XLogP2.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine?
The IUPAC name of 4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine (CID 166817904) is 4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine.
What is the SMILES notation for 4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine?
The canonical SMILES for 4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine is Cc1ccnc(O[C@H](C)C(F)(F)F)n1.
What is the InChIKey of 4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine?
The InChIKey is DDHWBNFVBKGPMZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5-3-4-12-7(13-5)14-6(2)8(9,10)11/h3-4,6H,1-2H3/t6-/m1/s1.
What are the key properties of 4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine?
4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine has a molecular weight of 206.17 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidine is sourced from PubChem (CID 166817904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).