4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid

C10H17F2NO3 — CID 21076020

IUPAC4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCC(F)F)CN1CCO
InChIInChI=1S/C10H17F2NO3/c11-9(12)2-1-7-5-8(10(15)16)13(6-7)3-4-14/h7-9,14H,1-6H2,(H,15,16)
InChIKeyUZBBRQOFQYPLKF-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.80
Rot. Bonds6

About 4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid

4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid (PubChem CID 21076020) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid
PubChem CID21076020
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCC(F)F)CN1CCO
InChIInChI=1S/C10H17F2NO3/c11-9(12)2-1-7-5-8(10(15)16)13(6-7)3-4-14/h7-9,14H,1-6H2,(H,15,16)
InChIKeyUZBBRQOFQYPLKF-UHFFFAOYSA-N
XLogP0.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid (CID 21076020) is 4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(CCC(F)F)CN1CCO.
What is the InChIKey of 4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UZBBRQOFQYPLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c11-9(12)2-1-7-5-8(10(15)16)13(6-7)3-4-14/h7-9,14H,1-6H2,(H,15,16).
What are the key properties of 4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid?
4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropropyl)-1-(2-hydroxyethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 21076020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).