(2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane

C3H4BrF3O — CID 76965044

IUPAC(2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane
SMILESCOC(F)(F)[C@@H](F)Br
InChIInChI=1S/C3H4BrF3O/c1-8-3(6,7)2(4)5/h2H,1H3/t2-/m1/s1
InChIKeyYOQYDUAUSFAUER-UWTATZPHSA-N
MW192.96 g/mol
LogP1.92
Rot. Bonds2

About (2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane

(2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane (PubChem CID 76965044) has the molecular formula C3H4BrF3O and a molecular weight of 192.96 g/mol. Its IUPAC name is (2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane.

Molecular Properties

Compound Name(2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane
PubChem CID76965044
Molecular FormulaC3H4BrF3O
Molecular Weight192.96 g/mol
Exact Mass191.94
IUPAC Name(2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane
SMILESCOC(F)(F)[C@@H](F)Br
InChIInChI=1S/C3H4BrF3O/c1-8-3(6,7)2(4)5/h2H,1H3/t2-/m1/s1
InChIKeyYOQYDUAUSFAUER-UWTATZPHSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.96
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane?
The IUPAC name of (2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane (CID 76965044) is (2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane.
What is the SMILES notation for (2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane?
The canonical SMILES for (2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane is COC(F)(F)[C@@H](F)Br.
What is the InChIKey of (2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane?
The InChIKey is YOQYDUAUSFAUER-UWTATZPHSA-N. The full InChI is InChI=1S/C3H4BrF3O/c1-8-3(6,7)2(4)5/h2H,1H3/t2-/m1/s1.
What are the key properties of (2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane?
(2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane has a molecular weight of 192.96 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane is sourced from PubChem (CID 76965044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).