4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene

C8H9F7O — CID 91093236

IUPAC4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene
SMILESCOCC=C(C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F7O/c1-5(3-4-16-2)6(9,10)7(11,12)8(13,14)15/h3H,4H2,1-2H3
InChIKeyIYTVUJJVRTZSMM-UHFFFAOYSA-N
MW254.14 g/mol
LogP3.41
Rot. Bonds4

About 4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene

4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene (PubChem CID 91093236) has the molecular formula C8H9F7O and a molecular weight of 254.14 g/mol. Its IUPAC name is 4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene.

Molecular Properties

Compound Name4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene
PubChem CID91093236
Molecular FormulaC8H9F7O
Molecular Weight254.14 g/mol
Exact Mass254.05
IUPAC Name4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene
SMILESCOCC=C(C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F7O/c1-5(3-4-16-2)6(9,10)7(11,12)8(13,14)15/h3H,4H2,1-2H3
InChIKeyIYTVUJJVRTZSMM-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 53.41
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'}

Analyze 4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-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 4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene?
The IUPAC name of 4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene (CID 91093236) is 4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene.
What is the SMILES notation for 4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene?
The canonical SMILES for 4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene is COCC=C(C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene?
The InChIKey is IYTVUJJVRTZSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7O/c1-5(3-4-16-2)6(9,10)7(11,12)8(13,14)15/h3H,4H2,1-2H3.
What are the key properties of 4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene?
4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene has a molecular weight of 254.14 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,6-heptafluoro-1-methoxy-3-methylhex-2-ene is sourced from PubChem (CID 91093236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).