2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid

C11H15F2NO3 — CID 172686941

IUPAC2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)N1CCC(F)(F)C1
InChIInChI=1S/C11H15F2NO3/c12-11(13)4-5-14(6-11)9(15)7-2-1-3-8(7)10(16)17/h7-8H,1-6H2,(H,16,17)
InChIKeyBDXCCUBRLXMXIY-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.35
Rot. Bonds2

About 2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid

2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 172686941) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID172686941
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)N1CCC(F)(F)C1
InChIInChI=1S/C11H15F2NO3/c12-11(13)4-5-14(6-11)9(15)7-2-1-3-8(7)10(16)17/h7-8H,1-6H2,(H,16,17)
InChIKeyBDXCCUBRLXMXIY-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 172686941) is 2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)N1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is BDXCCUBRLXMXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c12-11(13)4-5-14(6-11)9(15)7-2-1-3-8(7)10(16)17/h7-8H,1-6H2,(H,16,17).
What are the key properties of 2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid?
2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 247.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 172686941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).