2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol

C6H9F3O2 — CID 144715413

IUPAC2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol
SMILESC=C(C)C(O)OCC(F)(F)F
InChIInChI=1S/C6H9F3O2/c1-4(2)5(10)11-3-6(7,8)9/h5,10H,1,3H2,2H3
InChIKeyZDMKVYPREBQIDP-UHFFFAOYSA-N
MW170.13 g/mol
LogP1.46
Rot. Bonds3

About 2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol

2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol (PubChem CID 144715413) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is 2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol
PubChem CID144715413
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol
SMILESC=C(C)C(O)OCC(F)(F)F
InChIInChI=1S/C6H9F3O2/c1-4(2)5(10)11-3-6(7,8)9/h5,10H,1,3H2,2H3
InChIKeyZDMKVYPREBQIDP-UHFFFAOYSA-N
XLogP1.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol?
The IUPAC name of 2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol (CID 144715413) is 2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol.
What is the SMILES notation for 2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol?
The canonical SMILES for 2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol is C=C(C)C(O)OCC(F)(F)F.
What is the InChIKey of 2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol?
The InChIKey is ZDMKVYPREBQIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c1-4(2)5(10)11-3-6(7,8)9/h5,10H,1,3H2,2H3.
What are the key properties of 2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol?
2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol has a molecular weight of 170.13 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol is sourced from PubChem (CID 144715413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).