1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene

C9H7F11O — CID 15006628

IUPAC1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene
SMILESCCCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F11O/c1-2-3-21-5(6(10,11)9(18,19)20)4(7(12,13)14)8(15,16)17/h2-3H2,1H3
InChIKeyTVVARIVNWYYDCA-UHFFFAOYSA-N
MW340.13 g/mol
LogP4.99
Rot. Bonds4

About 1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene

1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene (PubChem CID 15006628) has the molecular formula C9H7F11O and a molecular weight of 340.13 g/mol. Its IUPAC name is 1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene
PubChem CID15006628
Molecular FormulaC9H7F11O
Molecular Weight340.13 g/mol
Exact Mass340.03
IUPAC Name1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene
SMILESCCCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F11O/c1-2-3-21-5(6(10,11)9(18,19)20)4(7(12,13)14)8(15,16)17/h2-3H2,1H3
InChIKeyTVVARIVNWYYDCA-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.13
LogP ≤ 54.99
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 1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene (CID 15006628) is 1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene is CCCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene?
The InChIKey is TVVARIVNWYYDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F11O/c1-2-3-21-5(6(10,11)9(18,19)20)4(7(12,13)14)8(15,16)17/h2-3H2,1H3.
What are the key properties of 1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene?
1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene has a molecular weight of 340.13 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,5,5,5-octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 15006628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).