7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine

C8H5F3N2 — CID 122580370

IUPAC7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine
SMILESFC(F)(F)c1cc2ncccn2c1
InChIInChI=1S/C8H5F3N2/c9-8(10,11)6-4-7-12-2-1-3-13(7)5-6/h1-5H
InChIKeyAVALLNSZGSTNGZ-UHFFFAOYSA-N
MW186.14 g/mol
LogP2.35
Rot. Bonds

About 7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine

7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine (PubChem CID 122580370) has the molecular formula C8H5F3N2 and a molecular weight of 186.14 g/mol. Its IUPAC name is 7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine
PubChem CID122580370
Molecular FormulaC8H5F3N2
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine
SMILESFC(F)(F)c1cc2ncccn2c1
InChIInChI=1S/C8H5F3N2/c9-8(10,11)6-4-7-12-2-1-3-13(7)5-6/h1-5H
InChIKeyAVALLNSZGSTNGZ-UHFFFAOYSA-N
XLogP2.35
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine?
The IUPAC name of 7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine (CID 122580370) is 7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine is FC(F)(F)c1cc2ncccn2c1.
What is the InChIKey of 7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine?
The InChIKey is AVALLNSZGSTNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2/c9-8(10,11)6-4-7-12-2-1-3-13(7)5-6/h1-5H.
What are the key properties of 7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine?
7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine has a molecular weight of 186.14 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)pyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 122580370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).