(2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol

C11H13F3O3 — CID 10977859

IUPAC(2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol
SMILESO[C@H]([C@@H](O)COCc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H13F3O3/c12-11(13,14)10(16)9(15)7-17-6-8-4-2-1-3-5-8/h1-5,9-10,15-16H,6-7H2/t9-,10+/m0/s1
InChIKeyNVSJFSAMFZXTFX-VHSXEESVSA-N
MW250.22 g/mol
LogP1.49
Rot. Bonds5

About (2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol

(2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol (PubChem CID 10977859) has the molecular formula C11H13F3O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is (2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol
PubChem CID10977859
Molecular FormulaC11H13F3O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name(2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol
SMILESO[C@H]([C@@H](O)COCc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H13F3O3/c12-11(13,14)10(16)9(15)7-17-6-8-4-2-1-3-5-8/h1-5,9-10,15-16H,6-7H2/t9-,10+/m0/s1
InChIKeyNVSJFSAMFZXTFX-VHSXEESVSA-N
XLogP1.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol?
The IUPAC name of (2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol (CID 10977859) is (2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol.
What is the SMILES notation for (2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol?
The canonical SMILES for (2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol is O[C@H]([C@@H](O)COCc1ccccc1)C(F)(F)F.
What is the InChIKey of (2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol?
The InChIKey is NVSJFSAMFZXTFX-VHSXEESVSA-N. The full InChI is InChI=1S/C11H13F3O3/c12-11(13,14)10(16)9(15)7-17-6-8-4-2-1-3-5-8/h1-5,9-10,15-16H,6-7H2/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol?
(2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol has a molecular weight of 250.22 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1,1,1-trifluoro-4-phenylmethoxybutane-2,3-diol is sourced from PubChem (CID 10977859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).