3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol

C6H9F3O2 — CID 15215719

IUPAC3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol
SMILESC=CCOC(CO)C(F)(F)F
InChIInChI=1S/C6H9F3O2/c1-2-3-11-5(4-10)6(7,8)9/h2,5,10H,1,3-4H2
InChIKeyDJXDJQMTTMGPIS-UHFFFAOYSA-N
MW170.13 g/mol
LogP1.11
Rot. Bonds4

About 3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol

3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol (PubChem CID 15215719) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol
PubChem CID15215719
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol
SMILESC=CCOC(CO)C(F)(F)F
InChIInChI=1S/C6H9F3O2/c1-2-3-11-5(4-10)6(7,8)9/h2,5,10H,1,3-4H2
InChIKeyDJXDJQMTTMGPIS-UHFFFAOYSA-N
XLogP1.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol (CID 15215719) is 3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol is C=CCOC(CO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol?
The InChIKey is DJXDJQMTTMGPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c1-2-3-11-5(4-10)6(7,8)9/h2,5,10H,1,3-4H2.
What are the key properties of 3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol?
3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol has a molecular weight of 170.13 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-prop-2-enoxypropan-1-ol is sourced from PubChem (CID 15215719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).