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

C7HF13O — CID 91740563

IUPAC(Z)-2,3,3,4,4,4-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene
SMILESF/C(=C\OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF13O/c8-2(3(9,10)5(12,13)14)1-21-4(11,6(15,16)17)7(18,19)20/h1H/b2-1-
InChIKeyCJHABAHBNAMPKY-UPHRSURJSA-N
MW348.06 g/mol
LogP4.80
Rot. Bonds3

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

(Z)-2,3,3,4,4,4-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene (PubChem CID 91740563) has the molecular formula C7HF13O and a molecular weight of 348.06 g/mol. Its IUPAC name is (Z)-2,3,3,4,4,4-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene.

Molecular Properties

Compound Name(Z)-2,3,3,4,4,4-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene
PubChem CID91740563
Molecular FormulaC7HF13O
Molecular Weight348.06 g/mol
Exact Mass347.98
IUPAC Name(Z)-2,3,3,4,4,4-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene
SMILESF/C(=C\OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF13O/c8-2(3(9,10)5(12,13)14)1-21-4(11,6(15,16)17)7(18,19)20/h1H/b2-1-
InChIKeyCJHABAHBNAMPKY-UPHRSURJSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,3,3,4,4,4-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene?
The IUPAC name of (Z)-2,3,3,4,4,4-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene (CID 91740563) is (Z)-2,3,3,4,4,4-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene.
What is the SMILES notation for (Z)-2,3,3,4,4,4-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene?
The canonical SMILES for (Z)-2,3,3,4,4,4-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene is F/C(=C\OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-2,3,3,4,4,4-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene?
The InChIKey is CJHABAHBNAMPKY-UPHRSURJSA-N. The full InChI is InChI=1S/C7HF13O/c8-2(3(9,10)5(12,13)14)1-21-4(11,6(15,16)17)7(18,19)20/h1H/b2-1-.
What are the key properties of (Z)-2,3,3,4,4,4-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene?
(Z)-2,3,3,4,4,4-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene has a molecular weight of 348.06 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3,3,4,4,4-hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)but-1-ene is sourced from PubChem (CID 91740563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).