2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone

C10H7F4N3O — CID 157326702

IUPAC2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone
SMILESO=C(N1CC=C(c2ncc(F)cn2)C1)C(F)(F)F
InChIInChI=1S/C10H7F4N3O/c11-7-3-15-8(16-4-7)6-1-2-17(5-6)9(18)10(12,13)14/h1,3-4H,2,5H2
InChIKeyJXCGISVFQDKLOM-UHFFFAOYSA-N
MW261.18 g/mol
LogP1.40
Rot. Bonds1

About 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone

2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone (PubChem CID 157326702) has the molecular formula C10H7F4N3O and a molecular weight of 261.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone
PubChem CID157326702
Molecular FormulaC10H7F4N3O
Molecular Weight261.18 g/mol
Exact Mass261.05
IUPAC Name2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone
SMILESO=C(N1CC=C(c2ncc(F)cn2)C1)C(F)(F)F
InChIInChI=1S/C10H7F4N3O/c11-7-3-15-8(16-4-7)6-1-2-17(5-6)9(18)10(12,13)14/h1,3-4H,2,5H2
InChIKeyJXCGISVFQDKLOM-UHFFFAOYSA-N
XLogP1.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

Tert-butyl 3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrole-1-carboxylate
CID 138635877
2-[4-Fluoro-5-(trifluoromethyl)pyrimidin-2-yl]acetamide
CID 140030996
1-[4-[5-(Trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 153358146
N-(2,2,2-trifluoroethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]methanimine
CID 157022428
2,2,2-Trifluoro-1-[3-[fluoro(pyrimidin-2-yl)methyl]azetidin-1-yl]ethanone
CID 157273218
2,2,2-Trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone
CID 158364444
2,2,2-Trifluoro-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 158441527
1-[3-[Difluoro(pyrimidin-2-yl)methyl]azetidin-1-yl]-2,2,2-trifluoroethanone
CID 159429603
2,2,2-Trifluoro-1-(3-fluoro-3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone
CID 159955490
2,2,2-Trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-1-yl]ethanone
CID 162464591
2,2,2-Trifluoro-1-[3-fluoro-3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 162464598
N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 175063505

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone (CID 157326702) is 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone is O=C(N1CC=C(c2ncc(F)cn2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone?
The InChIKey is JXCGISVFQDKLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4N3O/c11-7-3-15-8(16-4-7)6-1-2-17(5-6)9(18)10(12,13)14/h1,3-4H,2,5H2.
What are the key properties of 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone has a molecular weight of 261.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone is sourced from PubChem (CID 157326702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).