2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine

C6H9F3N2 — CID 174628830

IUPAC2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine
SMILESFC(F)C(F)C1NC=CCN1
InChIInChI=1S/C6H9F3N2/c7-4(5(8)9)6-10-2-1-3-11-6/h1-2,4-6,10-11H,3H2
InChIKeyHGTGHBLAPKAIKQ-UHFFFAOYSA-N
MW166.15 g/mol
LogP0.62
Rot. Bonds2

About 2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine

2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine (PubChem CID 174628830) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine
PubChem CID174628830
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine
SMILESFC(F)C(F)C1NC=CCN1
InChIInChI=1S/C6H9F3N2/c7-4(5(8)9)6-10-2-1-3-11-6/h1-2,4-6,10-11H,3H2
InChIKeyHGTGHBLAPKAIKQ-UHFFFAOYSA-N
XLogP0.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine (CID 174628830) is 2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine is FC(F)C(F)C1NC=CCN1.
What is the InChIKey of 2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine?
The InChIKey is HGTGHBLAPKAIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c7-4(5(8)9)6-10-2-1-3-11-6/h1-2,4-6,10-11H,3H2.
What are the key properties of 2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine?
2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine has a molecular weight of 166.15 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 174628830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).