(2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride

C10H8ClF3O3 — CID 178047727

IUPAC(2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride
SMILESCO[C@@](OC(F)(F)F)(C(=O)Cl)c1ccccc1
InChIInChI=1S/C10H8ClF3O3/c1-16-9(8(11)15,17-10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1
InChIKeyKRPBPTUMWFYAEO-VIFPVBQESA-N
MW268.62 g/mol
LogP2.79
Rot. Bonds4

About (2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride

(2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride (PubChem CID 178047727) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is (2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride.

Molecular Properties

Compound Name(2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride
PubChem CID178047727
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Name(2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride
SMILESCO[C@@](OC(F)(F)F)(C(=O)Cl)c1ccccc1
InChIInChI=1S/C10H8ClF3O3/c1-16-9(8(11)15,17-10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1
InChIKeyKRPBPTUMWFYAEO-VIFPVBQESA-N
XLogP2.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride?
The IUPAC name of (2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride (CID 178047727) is (2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride.
What is the SMILES notation for (2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride?
The canonical SMILES for (2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride is CO[C@@](OC(F)(F)F)(C(=O)Cl)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride?
The InChIKey is KRPBPTUMWFYAEO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H8ClF3O3/c1-16-9(8(11)15,17-10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride?
(2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride has a molecular weight of 268.62 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-phenyl-2-(trifluoromethoxy)acetyl chloride is sourced from PubChem (CID 178047727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).