(2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid

C6H9F2NO3 — CID 67212846

IUPAC(2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@@H](O)C[C@H]1C(F)F
InChIInChI=1S/C6H9F2NO3/c7-5(8)4-1-3(10)2-9(4)6(11)12/h3-5,10H,1-2H2,(H,11,12)/t3-,4-/m0/s1
InChIKeyOMEUHOFYXXZQRH-IMJSIDKUSA-N
MW181.14 g/mol
LogP0.36
Rot. Bonds1

About (2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid

(2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 67212846) has the molecular formula C6H9F2NO3 and a molecular weight of 181.14 g/mol. Its IUPAC name is (2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID67212846
Molecular FormulaC6H9F2NO3
Molecular Weight181.14 g/mol
Exact Mass181.06
IUPAC Name(2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@@H](O)C[C@H]1C(F)F
InChIInChI=1S/C6H9F2NO3/c7-5(8)4-1-3(10)2-9(4)6(11)12/h3-5,10H,1-2H2,(H,11,12)/t3-,4-/m0/s1
InChIKeyOMEUHOFYXXZQRH-IMJSIDKUSA-N
XLogP0.36
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid (CID 67212846) is (2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid is O=C(O)N1C[C@@H](O)C[C@H]1C(F)F.
What is the InChIKey of (2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is OMEUHOFYXXZQRH-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H9F2NO3/c7-5(8)4-1-3(10)2-9(4)6(11)12/h3-5,10H,1-2H2,(H,11,12)/t3-,4-/m0/s1.
What are the key properties of (2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid?
(2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 181.14 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67212846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).