3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene

C9H11F3O2 — CID 42604981

IUPAC3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene
SMILESC=CCOC(=CC(F)(F)F)OCC=C
InChIInChI=1S/C9H11F3O2/c1-3-5-13-8(14-6-4-2)7-9(10,11)12/h3-4,7H,1-2,5-6H2
InChIKeyDDZKLZUCZRSAMV-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.80
Rot. Bonds6

About 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene

3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene (PubChem CID 42604981) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene.

Molecular Properties

Compound Name3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene
PubChem CID42604981
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene
SMILESC=CCOC(=CC(F)(F)F)OCC=C
InChIInChI=1S/C9H11F3O2/c1-3-5-13-8(14-6-4-2)7-9(10,11)12/h3-4,7H,1-2,5-6H2
InChIKeyDDZKLZUCZRSAMV-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene 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-1,1-bis(prop-2-enoxy)prop-1-ene?
The IUPAC name of 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene (CID 42604981) is 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene.
What is the SMILES notation for 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene?
The canonical SMILES for 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene is C=CCOC(=CC(F)(F)F)OCC=C.
What is the InChIKey of 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene?
The InChIKey is DDZKLZUCZRSAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O2/c1-3-5-13-8(14-6-4-2)7-9(10,11)12/h3-4,7H,1-2,5-6H2.
What are the key properties of 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene?
3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene has a molecular weight of 208.18 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene is sourced from PubChem (CID 42604981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).