1,1,2-trifluoro-2-prop-2-enoxyethanol

C5H7F3O2 — CID 140790105

IUPAC1,1,2-trifluoro-2-prop-2-enoxyethanol
SMILESC=CCOC(F)C(O)(F)F
InChIInChI=1S/C5H7F3O2/c1-2-3-10-4(6)5(7,8)9/h2,4,9H,1,3H2
InChIKeyJSTYUELFWXTCDB-UHFFFAOYSA-N
MW156.10 g/mol
LogP1.07
Rot. Bonds4

About 1,1,2-trifluoro-2-prop-2-enoxyethanol

1,1,2-trifluoro-2-prop-2-enoxyethanol (PubChem CID 140790105) has the molecular formula C5H7F3O2 and a molecular weight of 156.10 g/mol. Its IUPAC name is 1,1,2-trifluoro-2-prop-2-enoxyethanol.

Molecular Properties

Compound Name1,1,2-trifluoro-2-prop-2-enoxyethanol
PubChem CID140790105
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Exact Mass156.04
IUPAC Name1,1,2-trifluoro-2-prop-2-enoxyethanol
SMILESC=CCOC(F)C(O)(F)F
InChIInChI=1S/C5H7F3O2/c1-2-3-10-4(6)5(7,8)9/h2,4,9H,1,3H2
InChIKeyJSTYUELFWXTCDB-UHFFFAOYSA-N
XLogP1.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,2-trifluoro-2-prop-2-enoxyethanol 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 1,1,2-trifluoro-2-prop-2-enoxyethanol?
The IUPAC name of 1,1,2-trifluoro-2-prop-2-enoxyethanol (CID 140790105) is 1,1,2-trifluoro-2-prop-2-enoxyethanol.
What is the SMILES notation for 1,1,2-trifluoro-2-prop-2-enoxyethanol?
The canonical SMILES for 1,1,2-trifluoro-2-prop-2-enoxyethanol is C=CCOC(F)C(O)(F)F.
What is the InChIKey of 1,1,2-trifluoro-2-prop-2-enoxyethanol?
The InChIKey is JSTYUELFWXTCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2/c1-2-3-10-4(6)5(7,8)9/h2,4,9H,1,3H2.
What are the key properties of 1,1,2-trifluoro-2-prop-2-enoxyethanol?
1,1,2-trifluoro-2-prop-2-enoxyethanol has a molecular weight of 156.10 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-2-prop-2-enoxyethanol is sourced from PubChem (CID 140790105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).