5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine

C7H6F4N2 — CID 23236379

IUPAC5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine
SMILESCc1cncnc1C(F)C(F)(F)F
InChIInChI=1S/C7H6F4N2/c1-4-2-12-3-13-5(4)6(8)7(9,10)11/h2-3,6H,1H3
InChIKeyQGACCWBBHJIYKI-UHFFFAOYSA-N
MW194.13 g/mol
LogP2.36
Rot. Bonds1

About 5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine

5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine (PubChem CID 23236379) has the molecular formula C7H6F4N2 and a molecular weight of 194.13 g/mol. Its IUPAC name is 5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine.

Molecular Properties

Compound Name5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine
PubChem CID23236379
Molecular FormulaC7H6F4N2
Molecular Weight194.13 g/mol
Exact Mass194.05
IUPAC Name5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine
SMILESCc1cncnc1C(F)C(F)(F)F
InChIInChI=1S/C7H6F4N2/c1-4-2-12-3-13-5(4)6(8)7(9,10)11/h2-3,6H,1H3
InChIKeyQGACCWBBHJIYKI-UHFFFAOYSA-N
XLogP2.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine?
The IUPAC name of 5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine (CID 23236379) is 5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine.
What is the SMILES notation for 5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine?
The canonical SMILES for 5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine is Cc1cncnc1C(F)C(F)(F)F.
What is the InChIKey of 5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine?
The InChIKey is QGACCWBBHJIYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2/c1-4-2-12-3-13-5(4)6(8)7(9,10)11/h2-3,6H,1H3.
What are the key properties of 5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine?
5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine has a molecular weight of 194.13 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine is sourced from PubChem (CID 23236379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).