(Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol

C6H6F6O2 — CID 154551546

IUPAC(Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol
SMILESCOC(/C=C(\O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O2/c1-14-4(6(10,11)12)2-3(13)5(7,8)9/h2,4,13H,1H3/b3-2-
InChIKeyAHVGWQSPVOWXCC-IHWYPQMZSA-N
MW224.10 g/mol
LogP2.57
Rot. Bonds2

About (Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol

(Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol (PubChem CID 154551546) has the molecular formula C6H6F6O2 and a molecular weight of 224.10 g/mol. Its IUPAC name is (Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol.

Molecular Properties

Compound Name(Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol
PubChem CID154551546
Molecular FormulaC6H6F6O2
Molecular Weight224.10 g/mol
Exact Mass224.03
IUPAC Name(Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol
SMILESCOC(/C=C(\O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O2/c1-14-4(6(10,11)12)2-3(13)5(7,8)9/h2,4,13H,1H3/b3-2-
InChIKeyAHVGWQSPVOWXCC-IHWYPQMZSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol 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 (Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol?
The IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol (CID 154551546) is (Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol.
What is the SMILES notation for (Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol?
The canonical SMILES for (Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol is COC(/C=C(\O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol?
The InChIKey is AHVGWQSPVOWXCC-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H6F6O2/c1-14-4(6(10,11)12)2-3(13)5(7,8)9/h2,4,13H,1H3/b3-2-.
What are the key properties of (Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol?
(Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol has a molecular weight of 224.10 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,5,5,5-hexafluoro-4-methoxypent-2-en-2-ol is sourced from PubChem (CID 154551546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).