3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene

C7H3F11O — CID 57347878

IUPAC3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene
SMILESC=CC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F11O/c1-2-3(8,5(11,12)13)19-7(17,18)4(9,10)6(14,15)16/h2H,1H2
InChIKeyBARAZKHHMOWWQY-UHFFFAOYSA-N
MW312.08 g/mol
LogP4.21
Rot. Bonds4

About 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene

3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene (PubChem CID 57347878) has the molecular formula C7H3F11O and a molecular weight of 312.08 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene
PubChem CID57347878
Molecular FormulaC7H3F11O
Molecular Weight312.08 g/mol
Exact Mass312.00
IUPAC Name3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene
SMILESC=CC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F11O/c1-2-3(8,5(11,12)13)19-7(17,18)4(9,10)6(14,15)16/h2H,1H2
InChIKeyBARAZKHHMOWWQY-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4,4,4-Tetrafluoro-3-(trifluoromethoxy)-1-butene
CID 2776773
4,4,4-Trifluoro-3-(1,1,2-trifluoroethoxy)-3-(trifluoromethyl)but-1-ene
CID 22966659
1,1,3,3-Tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)prop-1-ene
CID 54517066
4,4,4-Trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene
CID 57093812
2-Ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane
CID 87699877
1,1,3,3-Tetrafluoro-3-(1,1,3,3-tetrafluoroprop-2-enoxy)prop-1-ene
CID 87946697
3-(1,1-Difluoroprop-2-enoxy)-3,3-difluoroprop-1-ene
CID 88067148
3-Fluoro-3-(trifluoromethoxy)but-1-ene
CID 134560082
3,3,4,4-Tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene
CID 139624031
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

Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene?
The IUPAC name of 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene (CID 57347878) is 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene.
What is the SMILES notation for 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene?
The canonical SMILES for 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene is C=CC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene?
The InChIKey is BARAZKHHMOWWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11O/c1-2-3(8,5(11,12)13)19-7(17,18)4(9,10)6(14,15)16/h2H,1H2.
What are the key properties of 3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene?
3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene has a molecular weight of 312.08 g/mol, XLogP of 4.21, 4 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-(1,1,2,2,3,3,3-heptafluoropropoxy)but-1-ene is sourced from PubChem (CID 57347878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).