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

C10H9F4N3O — CID 162464591

IUPAC2,2,2-trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-1-yl]ethanone
SMILESO=C(N1CC(Cc2ncc(F)cn2)C1)C(F)(F)F
InChIInChI=1S/C10H9F4N3O/c11-7-2-15-8(16-3-7)1-6-4-17(5-6)9(18)10(12,13)14/h2-3,6H,1,4-5H2
InChIKeyGHNIJERVLLWGIB-UHFFFAOYSA-N
MW263.19 g/mol
LogP1.18
Rot. Bonds2

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

2,2,2-trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-1-yl]ethanone (PubChem CID 162464591) has the molecular formula C10H9F4N3O and a molecular weight of 263.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-1-yl]ethanone
PubChem CID162464591
Molecular FormulaC10H9F4N3O
Molecular Weight263.19 g/mol
Exact Mass263.07
IUPAC Name2,2,2-trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-1-yl]ethanone
SMILESO=C(N1CC(Cc2ncc(F)cn2)C1)C(F)(F)F
InChIInChI=1S/C10H9F4N3O/c11-7-2-15-8(16-3-7)1-6-4-17(5-6)9(18)10(12,13)14/h2-3,6H,1,4-5H2
InChIKeyGHNIJERVLLWGIB-UHFFFAOYSA-N
XLogP1.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-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

2-(5-Fluoropyrimidin-2-yl)butanamide
CID 67017179
3-(5-Fluoropyrimidin-2-yl)butanamide
CID 68574134
tert-Butyl 3-(5-fluoropyrimidin-2-yl)azetidine-1-carboxylate
CID 125452139
(3,3-Difluoroazetidin-1-yl)-pyrimidin-2-ylmethanone
CID 143638955
Tert-butyl 3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxylate
CID 153393968
2,2,2-Trifluoro-1-[3-(1-fluoro-1-pyrimidin-2-ylethyl)azetidin-1-yl]ethanone
CID 157122058
2,2,2-Trifluoro-1-[3-[fluoro(pyrimidin-2-yl)methyl]azetidin-1-yl]ethanone
CID 157273218
2,2,2-Trifluoro-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone
CID 157326702
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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-1-yl]ethanone (CID 162464591) is 2,2,2-trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-1-yl]ethanone is O=C(N1CC(Cc2ncc(F)cn2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-1-yl]ethanone?
The InChIKey is GHNIJERVLLWGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N3O/c11-7-2-15-8(16-3-7)1-6-4-17(5-6)9(18)10(12,13)14/h2-3,6H,1,4-5H2.
What are the key properties of 2,2,2-trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-[(5-fluoropyrimidin-2-yl)methyl]azetidin-1-yl]ethanone has a molecular weight of 263.19 g/mol, XLogP of 1.18, 2 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)methyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 162464591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).