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

C8H14F3NO — CID 138687390

IUPAC1-[1-(1,2,2-trifluoroethoxy)ethyl]pyrrolidine
SMILESCC(OC(F)C(F)F)N1CCCC1
InChIInChI=1S/C8H14F3NO/c1-6(12-4-2-3-5-12)13-8(11)7(9)10/h6-8H,2-5H2,1H3
InChIKeyOXVHYVQFUCIATI-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.01
Rot. Bonds4

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

1-[1-(1,2,2-trifluoroethoxy)ethyl]pyrrolidine (PubChem CID 138687390) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-[1-(1,2,2-trifluoroethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(1,2,2-trifluoroethoxy)ethyl]pyrrolidine
PubChem CID138687390
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-[1-(1,2,2-trifluoroethoxy)ethyl]pyrrolidine
SMILESCC(OC(F)C(F)F)N1CCCC1
InChIInChI=1S/C8H14F3NO/c1-6(12-4-2-3-5-12)13-8(11)7(9)10/h6-8H,2-5H2,1H3
InChIKeyOXVHYVQFUCIATI-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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Related Compounds

1-[Difluoro(methoxy)methyl]pyrrolidine
CID 18721518
1-[Ethoxy(difluoro)methyl]pyrrolidine
CID 18721520
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine
CID 18725561
3,3-Difluoro-1-(3-methoxypropyl)pyrrolidine
CID 21035011
1-(1,1,2,2,3,3-Hexafluoro-3-methoxypropyl)pyrrolidine
CID 57884774
1-(2,2-Difluoropropoxymethyl)pyrrolidine
CID 68196822
Fluoroform;1-methyl-1-(propoxymethyl)pyrrolidin-1-ium
CID 69491476
1-(Ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform
CID 69491737
1-Methyl-2-(trifluoromethoxy)pyrrolidine
CID 123430587
1-[1,2,3,3,3-Pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine
CID 130418343
1-[1,2,2-Trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine
CID 130418347
1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine
CID 130418455

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[1-(1,2,2-trifluoroethoxy)ethyl]pyrrolidine (CID 138687390) is 1-[1-(1,2,2-trifluoroethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[1-(1,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[1-(1,2,2-trifluoroethoxy)ethyl]pyrrolidine is CC(OC(F)C(F)F)N1CCCC1.
What is the InChIKey of 1-[1-(1,2,2-trifluoroethoxy)ethyl]pyrrolidine?
The InChIKey is OXVHYVQFUCIATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(12-4-2-3-5-12)13-8(11)7(9)10/h6-8H,2-5H2,1H3.
What are the key properties of 1-[1-(1,2,2-trifluoroethoxy)ethyl]pyrrolidine?
1-[1-(1,2,2-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-(1,2,2-trifluoroethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 138687390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).