(1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol

C6H8F6O3 — CID 94865854

IUPAC(1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol
SMILESO[C@@H](CC(F)(F)F)O[C@@H](O)CC(F)(F)F
InChIInChI=1S/C6H8F6O3/c7-5(8,9)1-3(13)15-4(14)2-6(10,11)12/h3-4,13-14H,1-2H2/t3-,4-/m1/s1
InChIKeyMBQFJCIIFZJMTG-QWWZWVQMSA-N
MW242.12 g/mol
LogP1.54
Rot. Bonds4

About (1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol

(1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol (PubChem CID 94865854) has the molecular formula C6H8F6O3 and a molecular weight of 242.12 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol
PubChem CID94865854
Molecular FormulaC6H8F6O3
Molecular Weight242.12 g/mol
Exact Mass242.04
IUPAC Name(1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol
SMILESO[C@@H](CC(F)(F)F)O[C@@H](O)CC(F)(F)F
InChIInChI=1S/C6H8F6O3/c7-5(8,9)1-3(13)15-4(14)2-6(10,11)12/h3-4,13-14H,1-2H2/t3-,4-/m1/s1
InChIKeyMBQFJCIIFZJMTG-QWWZWVQMSA-N
XLogP1.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol?
The IUPAC name of (1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol (CID 94865854) is (1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol is O[C@@H](CC(F)(F)F)O[C@@H](O)CC(F)(F)F.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol?
The InChIKey is MBQFJCIIFZJMTG-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H8F6O3/c7-5(8,9)1-3(13)15-4(14)2-6(10,11)12/h3-4,13-14H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol?
(1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol has a molecular weight of 242.12 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol is sourced from PubChem (CID 94865854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).