1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate

C8H10F5NO2 — CID 118294827

IUPAC1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate
SMILESCC(OC(=O)C(F)(F)F)[C@H]1CC(F)(F)CN1
InChIInChI=1S/C8H10F5NO2/c1-4(16-6(15)8(11,12)13)5-2-7(9,10)3-14-5/h4-5,14H,2-3H2,1H3/t4?,5-/m1/s1
InChIKeyJZARGMPXQADCLJ-BRJRFNKRSA-N
MW247.16 g/mol
LogP1.48
Rot. Bonds2

About 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate

1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate (PubChem CID 118294827) has the molecular formula C8H10F5NO2 and a molecular weight of 247.16 g/mol. Its IUPAC name is 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate
PubChem CID118294827
Molecular FormulaC8H10F5NO2
Molecular Weight247.16 g/mol
Exact Mass247.06
IUPAC Name1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate
SMILESCC(OC(=O)C(F)(F)F)[C@H]1CC(F)(F)CN1
InChIInChI=1S/C8H10F5NO2/c1-4(16-6(15)8(11,12)13)5-2-7(9,10)3-14-5/h4-5,14H,2-3H2,1H3/t4?,5-/m1/s1
InChIKeyJZARGMPXQADCLJ-BRJRFNKRSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate (CID 118294827) is 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate is CC(OC(=O)C(F)(F)F)[C@H]1CC(F)(F)CN1.
What is the InChIKey of 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate?
The InChIKey is JZARGMPXQADCLJ-BRJRFNKRSA-N. The full InChI is InChI=1S/C8H10F5NO2/c1-4(16-6(15)8(11,12)13)5-2-7(9,10)3-14-5/h4-5,14H,2-3H2,1H3/t4?,5-/m1/s1.
What are the key properties of 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate?
1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate has a molecular weight of 247.16 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 118294827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).