3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene

C5H3F7O — CID 2776773

IUPAC3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene
SMILESC=CC(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7O/c1-2-3(6,4(7,8)9)13-5(10,11)12/h2H,1H2
InChIKeyWBIQBVWPTRRHCM-UHFFFAOYSA-N
MW212.06 g/mol
LogP2.94
Rot. Bonds2

About 3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene

3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene (PubChem CID 2776773) has the molecular formula C5H3F7O and a molecular weight of 212.06 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene
PubChem CID2776773
Molecular FormulaC5H3F7O
Molecular Weight212.06 g/mol
Exact Mass212.01
IUPAC Name3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene
SMILESC=CC(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7O/c1-2-3(6,4(7,8)9)13-5(10,11)12/h2H,1H2
InChIKeyWBIQBVWPTRRHCM-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-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

3,4,4,4-Tetrafluoro-3-(heptafluoropropoxy)but-1-ene
CID 57347878
4,4,4-Trifluoro-3-(1,1,2-trifluoroethoxy)-3-(trifluoromethyl)but-1-ene
CID 22966659
3-Fluoro-3-(trifluoromethoxy)but-1-ene
CID 134560082
1,1,3,4,4,4-Hexafluoro-3-(trifluoromethoxy)but-1-ene
CID 139798169
3,4,4,4-Tetrafluoro-3-(1,1,1,2-tetrafluorobut-3-en-2-yloxy)but-1-ene
CID 139922564
3,3-Difluoro-3-(trifluoromethoxy)prop-1-ene
CID 145137641
3,4,4,4-Tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene
CID 162481654
1,1,1,2-Tetrafluorobut-3-en-2-yl hypofluorite
CID 166497920
3,4,4,4-Tetrafluoro-3-(fluoromethoxy)but-1-ene
CID 166591768
3,3,4,4-Tetrafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)but-1-ene
CID 175690130
4,4,4-Trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene
CID 175814323
3,4,4,4-Tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-iodobut-1-ene
CID 2782593

Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene?
The IUPAC name of 3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene (CID 2776773) is 3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene.
What is the SMILES notation for 3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene?
The canonical SMILES for 3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene is C=CC(F)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene?
The InChIKey is WBIQBVWPTRRHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O/c1-2-3(6,4(7,8)9)13-5(10,11)12/h2H,1H2.
What are the key properties of 3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene?
3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene has a molecular weight of 212.06 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene is sourced from PubChem (CID 2776773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).