N-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide

C9H14F4N2O — CID 22837829

IUPACN-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide
SMILESCCN(C[C@H]1CNC[C@@H]1F)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F4N2O/c1-2-15(8(16)9(11,12)13)5-6-3-14-4-7(6)10/h6-7,14H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyWBUCHRGEVUTKDW-RQJHMYQMSA-N
MW242.22 g/mol
LogP0.95
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide

N-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide (PubChem CID 22837829) has the molecular formula C9H14F4N2O and a molecular weight of 242.22 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide
PubChem CID22837829
Molecular FormulaC9H14F4N2O
Molecular Weight242.22 g/mol
Exact Mass242.10
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide
SMILESCCN(C[C@H]1CNC[C@@H]1F)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F4N2O/c1-2-15(8(16)9(11,12)13)5-6-3-14-4-7(6)10/h6-7,14H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyWBUCHRGEVUTKDW-RQJHMYQMSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide (CID 22837829) is N-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide is CCN(C[C@H]1CNC[C@@H]1F)C(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide?
The InChIKey is WBUCHRGEVUTKDW-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H14F4N2O/c1-2-15(8(16)9(11,12)13)5-6-3-14-4-7(6)10/h6-7,14H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide?
N-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide has a molecular weight of 242.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 22837829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).