(2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid

C10H14F3NO2 — CID 96594040

IUPAC(2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(CC(F)(F)F)[C@@H]1C1CC1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)5-14-4-3-7(9(15)16)8(14)6-1-2-6/h6-8H,1-5H2,(H,15,16)/t7-,8+/m0/s1
InChIKeyVNHDRPFJXMISJD-JGVFFNPUSA-N
MW237.22 g/mol
LogP1.73
Rot. Bonds3

About (2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid

(2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid (PubChem CID 96594040) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is (2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
PubChem CID96594040
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name(2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(CC(F)(F)F)[C@@H]1C1CC1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)5-14-4-3-7(9(15)16)8(14)6-1-2-6/h6-8H,1-5H2,(H,15,16)/t7-,8+/m0/s1
InChIKeyVNHDRPFJXMISJD-JGVFFNPUSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid (CID 96594040) is (2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CCN(CC(F)(F)F)[C@@H]1C1CC1.
What is the InChIKey of (2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VNHDRPFJXMISJD-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H14F3NO2/c11-10(12,13)5-14-4-3-7(9(15)16)8(14)6-1-2-6/h6-8H,1-5H2,(H,15,16)/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid?
(2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 96594040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).