3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene

C9H8F10O — CID 88596769

IUPAC3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene
SMILESC=C(OC(C)(C)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F10O/c1-4(20-5(2,3)10)6(11,12)7(13,14)8(15,16)9(17,18)19/h1H2,2-3H3
InChIKeyWHZYMLHGDJCICZ-UHFFFAOYSA-N
MW322.14 g/mol
LogP4.69
Rot. Bonds5

About 3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene

3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene (PubChem CID 88596769) has the molecular formula C9H8F10O and a molecular weight of 322.14 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene
PubChem CID88596769
Molecular FormulaC9H8F10O
Molecular Weight322.14 g/mol
Exact Mass322.04
IUPAC Name3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene
SMILESC=C(OC(C)(C)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F10O/c1-4(20-5(2,3)10)6(11,12)7(13,14)8(15,16)9(17,18)19/h1H2,2-3H3
InChIKeyWHZYMLHGDJCICZ-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 54.69
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'}

Analyze 3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-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 3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene?
The IUPAC name of 3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene (CID 88596769) is 3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene.
What is the SMILES notation for 3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene?
The canonical SMILES for 3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene is C=C(OC(C)(C)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene?
The InChIKey is WHZYMLHGDJCICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F10O/c1-4(20-5(2,3)10)6(11,12)7(13,14)8(15,16)9(17,18)19/h1H2,2-3H3.
What are the key properties of 3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene?
3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene has a molecular weight of 322.14 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,6-nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene is sourced from PubChem (CID 88596769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).