N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide

C7H12F3NO2 — CID 130944845

IUPACN-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide
SMILESCCN(C[C@H](C)O)C(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-3-11(4-5(2)12)6(13)7(8,9)10/h5,12H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyKGCLAHMOTHPJOV-YFKPBYRVSA-N
MW199.17 g/mol
LogP0.78
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide

N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide (PubChem CID 130944845) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide
PubChem CID130944845
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide
SMILESCCN(C[C@H](C)O)C(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-3-11(4-5(2)12)6(13)7(8,9)10/h5,12H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyKGCLAHMOTHPJOV-YFKPBYRVSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.78
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-[(2S)-2-hydroxypropyl]acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide (CID 130944845) is N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide is CCN(C[C@H](C)O)C(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide?
The InChIKey is KGCLAHMOTHPJOV-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-3-11(4-5(2)12)6(13)7(8,9)10/h5,12H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide?
N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide has a molecular weight of 199.17 g/mol, XLogP of 0.78, 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-[(2S)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 130944845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).