3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene

C7H3F11O — CID 139624031

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

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

3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene (PubChem CID 139624031) has the molecular formula C7H3F11O and a molecular weight of 312.08 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene
PubChem CID139624031
Molecular FormulaC7H3F11O
Molecular Weight312.08 g/mol
Exact Mass312.00
IUPAC Name3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene
SMILESC=CC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F11O/c1-2-3(8,9)7(17,18)19-4(10,5(11,12)13)6(14,15)16/h2H,1H2
InChIKeyRTBJUGDOSBHSCO-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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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene?
The IUPAC name of 3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene (CID 139624031) is 3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene?
The canonical SMILES for 3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene is C=CC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene?
The InChIKey is RTBJUGDOSBHSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11O/c1-2-3(8,9)7(17,18)19-4(10,5(11,12)13)6(14,15)16/h2H,1H2.
What are the key properties of 3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene?
3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)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 3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene is sourced from PubChem (CID 139624031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).