1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone

C8H11F3O2 — CID 67309436

IUPAC1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@H]1COCC(F)(F)F
InChIInChI=1S/C8H11F3O2/c1-5(12)7-2-6(7)3-13-4-8(9,10)11/h6-7H,2-4H2,1H3/t6-,7-/m0/s1
InChIKeyHQRCYFVAKPFIJX-BQBZGAKWSA-N
MW196.17 g/mol
LogP1.79
Rot. Bonds4

About 1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone

1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone (PubChem CID 67309436) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone
PubChem CID67309436
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@H]1COCC(F)(F)F
InChIInChI=1S/C8H11F3O2/c1-5(12)7-2-6(7)3-13-4-8(9,10)11/h6-7H,2-4H2,1H3/t6-,7-/m0/s1
InChIKeyHQRCYFVAKPFIJX-BQBZGAKWSA-N
XLogP1.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone (CID 67309436) is 1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone is CC(=O)[C@@H]1C[C@H]1COCC(F)(F)F.
What is the InChIKey of 1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone?
The InChIKey is HQRCYFVAKPFIJX-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H11F3O2/c1-5(12)7-2-6(7)3-13-4-8(9,10)11/h6-7H,2-4H2,1H3/t6-,7-/m0/s1.
What are the key properties of 1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone?
1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone has a molecular weight of 196.17 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(2,2,2-trifluoroethoxymethyl)cyclopropyl]ethanone is sourced from PubChem (CID 67309436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).