(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol

C10H11F3O2 — CID 22294333

IUPAC(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol
SMILESCO[C@](CO)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O2/c1-15-9(7-14,10(11,12)13)8-5-3-2-4-6-8/h2-6,14H,7H2,1H3/t9-/m1/s1
InChIKeyKMYOBQBJKFJAIW-SECBINFHSA-N
MW220.19 g/mol
LogP2.08
Rot. Bonds3

About (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol

(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol (PubChem CID 22294333) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol
PubChem CID22294333
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol
SMILESCO[C@](CO)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O2/c1-15-9(7-14,10(11,12)13)8-5-3-2-4-6-8/h2-6,14H,7H2,1H3/t9-/m1/s1
InChIKeyKMYOBQBJKFJAIW-SECBINFHSA-N
XLogP2.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol?
The IUPAC name of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol (CID 22294333) is (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol is CO[C@](CO)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol?
The InChIKey is KMYOBQBJKFJAIW-SECBINFHSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-15-9(7-14,10(11,12)13)8-5-3-2-4-6-8/h2-6,14H,7H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol?
(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-ol has a molecular weight of 220.19 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 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-phenylpropan-1-ol is sourced from PubChem (CID 22294333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).