(2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one

C9H14F3NO2 — CID 51943618

IUPAC(2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESC[C@H](OCC(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C9H14F3NO2/c1-7(15-6-9(10,11)12)8(14)13-4-2-3-5-13/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyIFGZTRCSXXPBQW-ZETCQYMHSA-N
MW225.21 g/mol
LogP1.58
Rot. Bonds3

About (2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one

(2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 51943618) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is (2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name(2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID51943618
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name(2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESC[C@H](OCC(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C9H14F3NO2/c1-7(15-6-9(10,11)12)8(14)13-4-2-3-5-13/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyIFGZTRCSXXPBQW-ZETCQYMHSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887329
1-Morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887346
2-(2-Methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 47030865
2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
CID 126771662
2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)propyl]propanamide
CID 10801125
2-methoxy-N-methyl-N-[2-methyl-1-(2,2,2-trifluoroethoxy)propyl]propanamide
CID 164667442
2,2,2-trifluoro-1-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]ethanone
CID 89059468
1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]propan-1-one
CID 89231844
4,4,4-trifluoro-2-methoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 117902998
1-[(4R)-3,3-difluoro-4-methoxypyrrolidin-1-yl]-2-hydroxyethanone
CID 121246744
1-[(4S)-4-ethoxy-3,3-difluoropyrrolidin-1-yl]-2-hydroxyethanone
CID 121246747
1-(3,3-Difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxyethanone
CID 121246945

Frequently Asked Questions

What is the IUPAC name of (2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of (2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one (CID 51943618) is (2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for (2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for (2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one is C[C@H](OCC(F)(F)F)C(=O)N1CCCC1.
What is the InChIKey of (2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is IFGZTRCSXXPBQW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-7(15-6-9(10,11)12)8(14)13-4-2-3-5-13/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one?
(2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 225.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 51943618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).