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

C10H9F4N3O — CID 158441527

IUPAC2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(N1CCC(c2ncc(F)cn2)C1)C(F)(F)F
InChIInChI=1S/C10H9F4N3O/c11-7-3-15-8(16-4-7)6-1-2-17(5-6)9(18)10(12,13)14/h3-4,6H,1-2,5H2
InChIKeyAFDXAILUOJSAAO-UHFFFAOYSA-N
MW263.19 g/mol
LogP1.49
Rot. Bonds1

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

2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 158441527) 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)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID158441527
Molecular FormulaC10H9F4N3O
Molecular Weight263.19 g/mol
Exact Mass263.07
IUPAC Name2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(N1CCC(c2ncc(F)cn2)C1)C(F)(F)F
InChIInChI=1S/C10H9F4N3O/c11-7-3-15-8(16-4-7)6-1-2-17(5-6)9(18)10(12,13)14/h3-4,6H,1-2,5H2
InChIKeyAFDXAILUOJSAAO-UHFFFAOYSA-N
XLogP1.49
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554099
2-(5-Fluoropyrimidin-2-yl)butanamide
CID 67017179
3-(5-Fluoropyrimidin-2-yl)butanamide
CID 68574134
3-(5-Fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91127549
1-(2-Chloro-5-fluoro-4-pyrimidinyl)-3,3-dimethyl-2-pyrrolidinone
CID 117840806
CID 123785451
CID 123785451
tert-butyl (3S)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidine-1-carboxylate
CID 139490789
Tert-butyl 3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidine-1-carboxylate
CID 139500245
2-[1-(Cyclopropylmethyl)pyrrolidin-3-yl]-5-fluoropyrimidine
CID 140304887
Tert-butyl 3-fluoro-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylate
CID 147567657
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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone (CID 158441527) is 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone is O=C(N1CCC(c2ncc(F)cn2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is AFDXAILUOJSAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N3O/c11-7-3-15-8(16-4-7)6-1-2-17(5-6)9(18)10(12,13)14/h3-4,6H,1-2,5H2.
What are the key properties of 2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 263.19 g/mol, XLogP of 1.49, 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)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 158441527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).