1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene

C8H7F9O — CID 175759833

IUPAC1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene
SMILESCCCOC(F)(F)C(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F9O/c1-2-3-18-7(13,14)5(10)4(9)6(11,12)8(15,16)17/h2-3H2,1H3
InChIKeyMDVNSGRUHUSKTK-UHFFFAOYSA-N
MW290.12 g/mol
LogP4.35
Rot. Bonds5

About 1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene

1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene (PubChem CID 175759833) has the molecular formula C8H7F9O and a molecular weight of 290.12 g/mol. Its IUPAC name is 1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene.

Molecular Properties

Compound Name1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene
PubChem CID175759833
Molecular FormulaC8H7F9O
Molecular Weight290.12 g/mol
Exact Mass290.04
IUPAC Name1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene
SMILESCCCOC(F)(F)C(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F9O/c1-2-3-18-7(13,14)5(10)4(9)6(11,12)8(15,16)17/h2-3H2,1H3
InChIKeyMDVNSGRUHUSKTK-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene?
The IUPAC name of 1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene (CID 175759833) is 1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene.
What is the SMILES notation for 1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene?
The canonical SMILES for 1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene is CCCOC(F)(F)C(F)=C(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene?
The InChIKey is MDVNSGRUHUSKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9O/c1-2-3-18-7(13,14)5(10)4(9)6(11,12)8(15,16)17/h2-3H2,1H3.
What are the key properties of 1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene?
1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene has a molecular weight of 290.12 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,4,5,5,5-nonafluoro-1-propoxypent-2-ene is sourced from PubChem (CID 175759833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).