1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine

C8H14F3NO — CID 138687387

IUPAC1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine
SMILESCC(OC(F)(F)CF)N1CCCC1
InChIInChI=1S/C8H14F3NO/c1-7(12-4-2-3-5-12)13-8(10,11)6-9/h7H,2-6H2,1H3
InChIKeyFADZGTKKFKHARG-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.01
Rot. Bonds4

About 1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine

1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine (PubChem CID 138687387) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine
PubChem CID138687387
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine
SMILESCC(OC(F)(F)CF)N1CCCC1
InChIInChI=1S/C8H14F3NO/c1-7(12-4-2-3-5-12)13-8(10,11)6-9/h7H,2-6H2,1H3
InChIKeyFADZGTKKFKHARG-UHFFFAOYSA-N
XLogP2.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine (CID 138687387) is 1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine is CC(OC(F)(F)CF)N1CCCC1.
What is the InChIKey of 1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine?
The InChIKey is FADZGTKKFKHARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(12-4-2-3-5-12)13-8(10,11)6-9/h7H,2-6H2,1H3.
What are the key properties of 1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine?
1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine has a molecular weight of 197.20 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,1,2-trifluoroethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 138687387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).