3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid

C11H19F2NO4 — CID 170357107

IUPAC3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid
SMILESCC(C(O)F)C1(C(C)C(O)F)CCN(C(=O)O)C1
InChIInChI=1S/C11H19F2NO4/c1-6(8(12)15)11(7(2)9(13)16)3-4-14(5-11)10(17)18/h6-9,15-16H,3-5H2,1-2H3,(H,17,18)
InChIKeyREHJGNPCLWGODT-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.20
Rot. Bonds4

About 3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid

3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 170357107) has the molecular formula C11H19F2NO4 and a molecular weight of 267.27 g/mol. Its IUPAC name is 3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID170357107
Molecular FormulaC11H19F2NO4
Molecular Weight267.27 g/mol
Exact Mass267.13
IUPAC Name3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid
SMILESCC(C(O)F)C1(C(C)C(O)F)CCN(C(=O)O)C1
InChIInChI=1S/C11H19F2NO4/c1-6(8(12)15)11(7(2)9(13)16)3-4-14(5-11)10(17)18/h6-9,15-16H,3-5H2,1-2H3,(H,17,18)
InChIKeyREHJGNPCLWGODT-UHFFFAOYSA-N
XLogP1.20
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid (CID 170357107) is 3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid is CC(C(O)F)C1(C(C)C(O)F)CCN(C(=O)O)C1.
What is the InChIKey of 3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is REHJGNPCLWGODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO4/c1-6(8(12)15)11(7(2)9(13)16)3-4-14(5-11)10(17)18/h6-9,15-16H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid?
3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 267.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 170357107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).