2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone

C10H10F3N3O — CID 158364444

IUPAC2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(N1CCC(c2ncccn2)C1)C(F)(F)F
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)9(17)16-5-2-7(6-16)8-14-3-1-4-15-8/h1,3-4,7H,2,5-6H2
InChIKeyMPZHFEXVDGCDHW-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.35
Rot. Bonds1

About 2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone

2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 158364444) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone
PubChem CID158364444
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(N1CCC(c2ncccn2)C1)C(F)(F)F
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)9(17)16-5-2-7(6-16)8-14-3-1-4-15-8/h1,3-4,7H,2,5-6H2
InChIKeyMPZHFEXVDGCDHW-UHFFFAOYSA-N
XLogP1.35
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bmy 21502
CID 129930
2,2,2-Trifluoro-1-(4-pyrimidin-2-ylpiperazinyl)ethan-1-one
CID 753091
5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 53503785
4,4,4-Trifluoro-1-(4-pyrimidin-2-yl-1-piperidyl)butan-1-one
CID 137500446
1-(2-Pyrimidinyl)-2-pyrrolidinone
CID 1476268
2-{4-[1-(4,4,4-Trifluorobutanoyl)-3-pyrrolidinyl]-1-piperidinyl}pyrimidine
CID 45224737
2-{4-[1-(3,3,3-Trifluoropropanoyl)-3-pyrrolidinyl]-1-piperidinyl}pyrimidine
CID 45227957
1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72902005
N-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide
CID 164642127
1-[[1-[2-(Trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidine-2,5-dione
CID 9927990
1-[[1-[2-(1,1,2,2,2-Pentafluoroethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554113
N-Ethyl-N-[[1-[2-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]methyl]-acetamide
CID 15227522

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone (CID 158364444) is 2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone is O=C(N1CCC(c2ncccn2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is MPZHFEXVDGCDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)9(17)16-5-2-7(6-16)8-14-3-1-4-15-8/h1,3-4,7H,2,5-6H2.
What are the key properties of 2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 245.20 g/mol, XLogP of 1.35, 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-pyrimidin-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 158364444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).