(2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid

C6H10FNO2 — CID 155124572

IUPAC(2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1NCC[C@H]1CF
InChIInChI=1S/C6H10FNO2/c7-3-4-1-2-8-5(4)6(9)10/h4-5,8H,1-3H2,(H,9,10)/t4-,5+/m0/s1
InChIKeyRLEMIHVWCJRQNT-CRCLSJGQSA-N
MW147.15 g/mol
LogP0.02
Rot. Bonds2

About (2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid

(2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid (PubChem CID 155124572) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is (2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid
PubChem CID155124572
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name(2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1NCC[C@H]1CF
InChIInChI=1S/C6H10FNO2/c7-3-4-1-2-8-5(4)6(9)10/h4-5,8H,1-3H2,(H,9,10)/t4-,5+/m0/s1
InChIKeyRLEMIHVWCJRQNT-CRCLSJGQSA-N
XLogP0.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid (CID 155124572) is (2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1NCC[C@H]1CF.
What is the InChIKey of (2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RLEMIHVWCJRQNT-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-3-4-1-2-8-5(4)6(9)10/h4-5,8H,1-3H2,(H,9,10)/t4-,5+/m0/s1.
What are the key properties of (2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid?
(2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 147.15 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 155124572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).