2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate

C9H14F3NO3 — CID 115690736

IUPAC2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCC(CCO)C1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-16-8(15)13-3-1-7(5-13)2-4-14/h7,14H,1-6H2
InChIKeyQMQLTTPHRHVUDB-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.39
Rot. Bonds3

About 2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate

2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate (PubChem CID 115690736) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
PubChem CID115690736
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCC(CCO)C1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-16-8(15)13-3-1-7(5-13)2-4-14/h7,14H,1-6H2
InChIKeyQMQLTTPHRHVUDB-UHFFFAOYSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate (CID 115690736) is 2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate is O=C(OCC(F)(F)F)N1CCC(CCO)C1.
What is the InChIKey of 2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate?
The InChIKey is QMQLTTPHRHVUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)6-16-8(15)13-3-1-7(5-13)2-4-14/h7,14H,1-6H2.
What are the key properties of 2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate?
2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate has a molecular weight of 241.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 115690736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).