2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine

C9H10F2N2 — CID 139572282

IUPAC2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine
SMILESC/C=C/c1cnc(C(C)(F)F)nc1
InChIInChI=1S/C9H10F2N2/c1-3-4-7-5-12-8(13-6-7)9(2,10)11/h3-6H,1-2H3/b4-3+
InChIKeyOQQYJCIKBXRFMC-ONEGZZNKSA-N
MW184.19 g/mol
LogP2.62
Rot. Bonds2

About 2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine

2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine (PubChem CID 139572282) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine
PubChem CID139572282
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine
SMILESC/C=C/c1cnc(C(C)(F)F)nc1
InChIInChI=1S/C9H10F2N2/c1-3-4-7-5-12-8(13-6-7)9(2,10)11/h3-6H,1-2H3/b4-3+
InChIKeyOQQYJCIKBXRFMC-ONEGZZNKSA-N
XLogP2.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine?
The IUPAC name of 2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine (CID 139572282) is 2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine is C/C=C/c1cnc(C(C)(F)F)nc1.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine?
The InChIKey is OQQYJCIKBXRFMC-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H10F2N2/c1-3-4-7-5-12-8(13-6-7)9(2,10)11/h3-6H,1-2H3/b4-3+.
What are the key properties of 2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine?
2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine has a molecular weight of 184.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-5-[(E)-prop-1-enyl]pyrimidine is sourced from PubChem (CID 139572282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).