1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid

C10H16F3NO3 — CID 54961875

IUPAC1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-6-2-5-14-4-1-3-8(14)9(15)16/h8H,1-7H2,(H,15,16)
InChIKeyDSJHWXNDICDSOA-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.50
Rot. Bonds6

About 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid

1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid (PubChem CID 54961875) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid
PubChem CID54961875
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-6-2-5-14-4-1-3-8(14)9(15)16/h8H,1-7H2,(H,15,16)
InChIKeyDSJHWXNDICDSOA-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid (CID 54961875) is 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1CCCOCC(F)(F)F.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DSJHWXNDICDSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)7-17-6-2-5-14-4-1-3-8(14)9(15)16/h8H,1-7H2,(H,15,16).
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid?
1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid has a molecular weight of 255.24 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54961875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).