1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine

C10H16F3NO — CID 130427327

IUPAC1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine
SMILESFC(N1CCCC1)C(F)(F)C1CCCO1
InChIInChI=1S/C10H16F3NO/c11-9(14-5-1-2-6-14)10(12,13)8-4-3-7-15-8/h8-9H,1-7H2
InChIKeyAHVAVRROSPMXOW-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.19
Rot. Bonds3

About 1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine

1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine (PubChem CID 130427327) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine
PubChem CID130427327
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine
SMILESFC(N1CCCC1)C(F)(F)C1CCCO1
InChIInChI=1S/C10H16F3NO/c11-9(14-5-1-2-6-14)10(12,13)8-4-3-7-15-8/h8-9H,1-7H2
InChIKeyAHVAVRROSPMXOW-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine?
The IUPAC name of 1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine (CID 130427327) is 1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine is FC(N1CCCC1)C(F)(F)C1CCCO1.
What is the InChIKey of 1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine?
The InChIKey is AHVAVRROSPMXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-9(14-5-1-2-6-14)10(12,13)8-4-3-7-15-8/h8-9H,1-7H2.
What are the key properties of 1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine?
1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine has a molecular weight of 223.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,2-trifluoro-2-(oxolan-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 130427327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).