3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene

C10H11F9O4 — CID 102038621

IUPAC3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene
SMILESC=CCOC(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C10H11F9O4/c1-2-3-20-10(21-4-7(11,12)13,22-5-8(14,15)16)23-6-9(17,18)19/h2H,1,3-6H2
InChIKeyAEXSDTMSJPFYBT-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.54
Rot. Bonds9

About 3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene

3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene (PubChem CID 102038621) has the molecular formula C10H11F9O4 and a molecular weight of 366.18 g/mol. Its IUPAC name is 3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene.

Molecular Properties

Compound Name3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene
PubChem CID102038621
Molecular FormulaC10H11F9O4
Molecular Weight366.18 g/mol
Exact Mass366.05
IUPAC Name3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene
SMILESC=CCOC(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C10H11F9O4/c1-2-3-20-10(21-4-7(11,12)13,22-5-8(14,15)16)23-6-9(17,18)19/h2H,1,3-6H2
InChIKeyAEXSDTMSJPFYBT-UHFFFAOYSA-N
XLogP3.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[tris(2,2,2-trifluoroethoxy)methoxy]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

Related Compounds

Perfluoro-2,4,6,8,10-pentaoxaundecyl allyl ether
CID 129762152
3,3,3-Trifluoro-1,1-bis(prop-2-enoxy)prop-1-ene
CID 42604981
3-(1,1,2,2-Tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene
CID 57259911
1,1,1,2,2,3,3-Heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)prop-2-enoxy]prop-2-enoxy]propane
CID 57280272
3-[2-[[2-(2,2-Difluoroethenoxy)-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethoxy]prop-1-ene
CID 59866553
2,2-Difluoroethyl prop-2-enyl carbonate
CID 87091375
3-[1,2,2,2-Tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene
CID 87438911
bis[(E)-4,4,4-trifluorobut-2-enyl] carbonate
CID 90256501
3-[Ethoxy(difluoro)methoxy]prop-1-ene
CID 91171912
3-(Trifluoromethoxymethoxy)prop-1-ene
CID 118138304
3-[Difluoro(methoxy)methoxy]prop-1-ene
CID 118138305
3-[Difluoro(trifluoromethoxy)methoxy]prop-1-ene
CID 118138306

Frequently Asked Questions

What is the IUPAC name of 3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene?
The IUPAC name of 3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene (CID 102038621) is 3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene.
What is the SMILES notation for 3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene?
The canonical SMILES for 3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene is C=CCOC(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene?
The InChIKey is AEXSDTMSJPFYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F9O4/c1-2-3-20-10(21-4-7(11,12)13,22-5-8(14,15)16)23-6-9(17,18)19/h2H,1,3-6H2.
What are the key properties of 3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene?
3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene has a molecular weight of 366.18 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene is sourced from PubChem (CID 102038621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).