2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate

C13H14F3NO2 — CID 61067662

IUPAC2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCCC1c1ccccc1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)9-19-12(18)17-8-4-7-11(17)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKeyVKGDACOMEUFYSX-UHFFFAOYSA-N
MW273.25 g/mol
LogP3.52
Rot. Bonds2

About 2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate

2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate (PubChem CID 61067662) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate
PubChem CID61067662
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCCC1c1ccccc1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)9-19-12(18)17-8-4-7-11(17)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKeyVKGDACOMEUFYSX-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
2,2,2-trifluoroethyl 2-(1-methylpyrrol-2-yl)azepane-1-carboxylate
CID 65168429
2-methoxy-2-methyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 103029058
benzyl 2-(3-aminophenyl)pyrrolidine-1-carboxylate
CID 84818132
6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532
5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 79199360
2-fluoro-4-(1-phenylmethoxycarbonylpyrrolidin-2-yl)benzoic acid
CID 66621304
2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 140707313
benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 137320135
3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid
CID 64897035
4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide
CID 56545893

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate (CID 61067662) is 2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate is O=C(OCC(F)(F)F)N1CCCC1c1ccccc1.
What is the InChIKey of 2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate?
The InChIKey is VKGDACOMEUFYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)9-19-12(18)17-8-4-7-11(17)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2.
What are the key properties of 2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate?
2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate has a molecular weight of 273.25 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 61067662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).