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

C10H8ClF3O2 — CID 2724611

IUPAC(2S)-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-/m1/s1
InChIKeyPAORVUMOXXAMPL-SECBINFHSA-N
MW252.62 g/mol
LogP2.86
Rot. Bonds3

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

(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride (PubChem CID 2724611) has the molecular formula C10H8ClF3O2 and a molecular weight of 252.62 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
PubChem CID2724611
Molecular FormulaC10H8ClF3O2
Molecular Weight252.62 g/mol
Exact Mass252.02
IUPAC Name(2S)-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-/m1/s1
InChIKeyPAORVUMOXXAMPL-SECBINFHSA-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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Related Compounds

CID 3080792
CID 3080792
CID 97698
CID 97698
CID 604961
CID 604961
CID 11830408
CID 11830408
CID 14711966
CID 14711966
CID 10955419
CID 10955419
CID 13793424
CID 13793424
CID 13793425
CID 13793425
CID 14711967
CID 14711967
CID 15039471
CID 15039471
CID 53802950
CID 53802950
CID 604963
CID 604963

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride?
The IUPAC name of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride (CID 2724611) is (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride?
The canonical SMILES for (2S)-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 (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride?
The InChIKey is PAORVUMOXXAMPL-SECBINFHSA-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-/m1/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride?
(2S)-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 (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride is sourced from PubChem (CID 2724611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).