5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol

C8H12F4O2 — CID 58860326

IUPAC5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol
SMILESC=C(F)OC(CC(C)(C)O)C(F)(F)F
InChIInChI=1S/C8H12F4O2/c1-5(9)14-6(8(10,11)12)4-7(2,3)13/h6,13H,1,4H2,2-3H3
InChIKeyWQCOSTUCFIGNLN-UHFFFAOYSA-N
MW216.17 g/mol
LogP2.54
Rot. Bonds4

About 5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol

5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol (PubChem CID 58860326) has the molecular formula C8H12F4O2 and a molecular weight of 216.17 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol
PubChem CID58860326
Molecular FormulaC8H12F4O2
Molecular Weight216.17 g/mol
Exact Mass216.08
IUPAC Name5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol
SMILESC=C(F)OC(CC(C)(C)O)C(F)(F)F
InChIInChI=1S/C8H12F4O2/c1-5(9)14-6(8(10,11)12)4-7(2,3)13/h6,13H,1,4H2,2-3H3
InChIKeyWQCOSTUCFIGNLN-UHFFFAOYSA-N
XLogP2.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol (CID 58860326) is 5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol is C=C(F)OC(CC(C)(C)O)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol?
The InChIKey is WQCOSTUCFIGNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O2/c1-5(9)14-6(8(10,11)12)4-7(2,3)13/h6,13H,1,4H2,2-3H3.
What are the key properties of 5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol?
5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol has a molecular weight of 216.17 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-(1-fluoroethenoxy)-2-methylpentan-2-ol is sourced from PubChem (CID 58860326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).