(E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol

C10H11F9O3 — CID 159053975

IUPAC(E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol
SMILESC/C(=C\OC(O)(C(F)(F)F)C(F)(F)F)CC(C)(O)C(F)(F)F
InChIInChI=1S/C10H11F9O3/c1-5(3-6(2,20)8(11,12)13)4-22-7(21,9(14,15)16)10(17,18)19/h4,20-21H,3H2,1-2H3/b5-4+
InChIKeyWRQLEQROATWYSS-SNAWJCMRSA-N
MW350.18 g/mol
LogP3.42
Rot. Bonds4

About (E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol

(E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol (PubChem CID 159053975) has the molecular formula C10H11F9O3 and a molecular weight of 350.18 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol
PubChem CID159053975
Molecular FormulaC10H11F9O3
Molecular Weight350.18 g/mol
Exact Mass350.06
IUPAC Name(E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol
SMILESC/C(=C\OC(O)(C(F)(F)F)C(F)(F)F)CC(C)(O)C(F)(F)F
InChIInChI=1S/C10H11F9O3/c1-5(3-6(2,20)8(11,12)13)4-22-7(21,9(14,15)16)10(17,18)19/h4,20-21H,3H2,1-2H3/b5-4+
InChIKeyWRQLEQROATWYSS-SNAWJCMRSA-N
XLogP3.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol?
The IUPAC name of (E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol (CID 159053975) is (E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol.
What is the SMILES notation for (E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol?
The canonical SMILES for (E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol is C/C(=C\OC(O)(C(F)(F)F)C(F)(F)F)CC(C)(O)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol?
The InChIKey is WRQLEQROATWYSS-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H11F9O3/c1-5(3-6(2,20)8(11,12)13)4-22-7(21,9(14,15)16)10(17,18)19/h4,20-21H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol?
(E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol has a molecular weight of 350.18 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)oxy-2,4-dimethylpent-4-en-2-ol is sourced from PubChem (CID 159053975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).