AIFFELMZNOVANX-UHFFFAOYSA-N

Name: AIFFELMZNOVANX-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₂F₂N₂O₃ — CID 125495021

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 4-(2,2-difluoropropoxy)-6-ethenylpyrimidine-5-carboxylate

SMILESC=Cc1ncnc(OCC(C)(F)F)c1C(=O)OC

InChIInChI=1S/C11H12F2N2O3/c1-4-7-8(10(16)17-3)9(15-6-14-7)18-5-11(2,12)13/h4,6H,1,5H2,2-3H3

InChIKeyAIFFELMZNOVANX-UHFFFAOYSA-N

MW258.22 g/mol

LogP1.94

Rot. Bonds5

About AIFFELMZNOVANX-UHFFFAOYSA-N

AIFFELMZNOVANX-UHFFFAOYSA-N (PubChem CID 125495021) has the molecular formula C₁₁H₁₂F₂N₂O₃ and a molecular weight of 258.22 g/mol. Its IUPAC name is methyl 4-(2,2-difluoropropoxy)-6-ethenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Name	AIFFELMZNOVANX-UHFFFAOYSA-N
PubChem CID	125495021
Molecular Formula	C₁₁H₁₂F₂N₂O₃
Molecular Weight	258.22 g/mol
Exact Mass	258.08
IUPAC Name	methyl 4-(2,2-difluoropropoxy)-6-ethenylpyrimidine-5-carboxylate
SMILES	C=Cc1ncnc(OCC(C)(F)F)c1C(=O)OC
InChI	InChI=1S/C11H12F2N2O3/c1-4-7-8(10(16)17-3)9(15-6-14-7)18-5-11(2,12)13/h4,6H,1,5H2,2-3H3
InChIKey	AIFFELMZNOVANX-UHFFFAOYSA-N
XLogP	1.94
TPSA	61.31 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	258.22
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of AIFFELMZNOVANX-UHFFFAOYSA-N?

The IUPAC name of AIFFELMZNOVANX-UHFFFAOYSA-N (CID 125495021) is methyl 4-(2,2-difluoropropoxy)-6-ethenylpyrimidine-5-carboxylate.

What is the SMILES notation for AIFFELMZNOVANX-UHFFFAOYSA-N?

The canonical SMILES for AIFFELMZNOVANX-UHFFFAOYSA-N is C=Cc1ncnc(OCC(C)(F)F)c1C(=O)OC.

What is the InChIKey of AIFFELMZNOVANX-UHFFFAOYSA-N?

The InChIKey is AIFFELMZNOVANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-4-7-8(10(16)17-3)9(15-6-14-7)18-5-11(2,12)13/h4,6H,1,5H2,2-3H3.

What are the key properties of AIFFELMZNOVANX-UHFFFAOYSA-N?

AIFFELMZNOVANX-UHFFFAOYSA-N has a molecular weight of 258.22 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for AIFFELMZNOVANX-UHFFFAOYSA-N is sourced from PubChem (CID 125495021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 125495021 — identifiers, structure, computed properties (public domain)

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