(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride

C10H8ClF3O2 — CID 3080792

IUPAC(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
SMILESCO[C@](C(=O)Cl)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1
InChIKeyPAORVUMOXXAMPL-VIFPVBQESA-N
MW252.62 g/mol
LogP2.86
Rot. Bonds3

About (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride

(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride (PubChem CID 3080792) has the molecular formula C10H8ClF3O2 and a molecular weight of 252.62 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
PubChem CID3080792
Molecular FormulaC10H8ClF3O2
Molecular Weight252.62 g/mol
Exact Mass252.02
IUPAC Name(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
SMILESCO[C@](C(=O)Cl)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1
InChIKeyPAORVUMOXXAMPL-VIFPVBQESA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride?
The IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride (CID 3080792) is (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride is CO[C@](C(=O)Cl)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride?
The InChIKey is PAORVUMOXXAMPL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride?
(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride has a molecular weight of 252.62 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride is sourced from PubChem (CID 3080792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).