3-(3,3,3-trifluoropropyl)-4H-pyrimidine

C7H9F3N2 — CID 67593086

IUPAC3-(3,3,3-trifluoropropyl)-4H-pyrimidine
SMILESFC(F)(F)CCN1C=NC=CC1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)2-5-12-4-1-3-11-6-12/h1,3,6H,2,4-5H2
InChIKeyOZOMYJUVDYMGGS-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.80
Rot. Bonds2

About 3-(3,3,3-trifluoropropyl)-4H-pyrimidine

3-(3,3,3-trifluoropropyl)-4H-pyrimidine (PubChem CID 67593086) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropyl)-4H-pyrimidine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropyl)-4H-pyrimidine
PubChem CID67593086
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name3-(3,3,3-trifluoropropyl)-4H-pyrimidine
SMILESFC(F)(F)CCN1C=NC=CC1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)2-5-12-4-1-3-11-6-12/h1,3,6H,2,4-5H2
InChIKeyOZOMYJUVDYMGGS-UHFFFAOYSA-N
XLogP1.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropyl)-4H-pyrimidine?
The IUPAC name of 3-(3,3,3-trifluoropropyl)-4H-pyrimidine (CID 67593086) is 3-(3,3,3-trifluoropropyl)-4H-pyrimidine.
What is the SMILES notation for 3-(3,3,3-trifluoropropyl)-4H-pyrimidine?
The canonical SMILES for 3-(3,3,3-trifluoropropyl)-4H-pyrimidine is FC(F)(F)CCN1C=NC=CC1.
What is the InChIKey of 3-(3,3,3-trifluoropropyl)-4H-pyrimidine?
The InChIKey is OZOMYJUVDYMGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c8-7(9,10)2-5-12-4-1-3-11-6-12/h1,3,6H,2,4-5H2.
What are the key properties of 3-(3,3,3-trifluoropropyl)-4H-pyrimidine?
3-(3,3,3-trifluoropropyl)-4H-pyrimidine has a molecular weight of 178.16 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropyl)-4H-pyrimidine is sourced from PubChem (CID 67593086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).