1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone

C19H19F3NOP — CID 15446209

IUPAC1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCC[C@H]1CP(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H19F3NOP/c20-19(21,22)18(24)23-13-7-8-15(23)14-25(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2/t15-/m0/s1
InChIKeyGZDQJZQXKGTFCX-HNNXBMFYSA-N
MW365.33 g/mol
LogP3.67
Rot. Bonds4

About 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone

1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 15446209) has the molecular formula C19H19F3NOP and a molecular weight of 365.33 g/mol. Its IUPAC name is 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID15446209
Molecular FormulaC19H19F3NOP
Molecular Weight365.33 g/mol
Exact Mass365.12
IUPAC Name1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCC[C@H]1CP(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H19F3NOP/c20-19(21,22)18(24)23-13-7-8-15(23)14-25(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2/t15-/m0/s1
InChIKeyGZDQJZQXKGTFCX-HNNXBMFYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-(diphenylphosphino)trifluoroacet-amide
CID 129768066
Rac-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]-triphenylphosphonium bromide
CID 10505810
[2-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium
CID 10505811
[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium bromide
CID 87795389
3-[Bromo(triphenyl)-lambda5-phosphanyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 145826099
1-[(2S)-2-[(Diphenylphosphino)methyl]-1-pyrrolidinyl]-2,2-dimethyl-1-propanone
CID 10981083
1-[(2S)-2-(diphenylphosphanylmethyl)-4,4-dimethylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 11025347
(2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 11121360
Diphenyl(dibutylcarba-moylmethyl)phosphine
CID 15769528
diphenyl-N-methyl-N-propylcarbamoylmethylphosphine
CID 129694718
Diphenyl(dibutylcarbamoylethyl)phosphine
CID 129762766
[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium
CID 87795390

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone (CID 15446209) is 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone is O=C(N1CCC[C@H]1CP(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is GZDQJZQXKGTFCX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19F3NOP/c20-19(21,22)18(24)23-13-7-8-15(23)14-25(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 365.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(diphenylphosphanylmethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 15446209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).