(Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene

C6H6F6O — CID 10750852

IUPAC(Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene
SMILESCO/C(=C\C(F)(F)F)CC(F)(F)F
InChIInChI=1S/C6H6F6O/c1-13-4(2-5(7,8)9)3-6(10,11)12/h2H,3H2,1H3/b4-2-
InChIKeyOUBLIRNUIBUYNZ-RQOWECAXSA-N
MW208.10 g/mol
LogP3.03
Rot. Bonds2

About (Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene

(Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene (PubChem CID 10750852) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is (Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene.

Molecular Properties

Compound Name(Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene
PubChem CID10750852
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name(Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene
SMILESCO/C(=C\C(F)(F)F)CC(F)(F)F
InChIInChI=1S/C6H6F6O/c1-13-4(2-5(7,8)9)3-6(10,11)12/h2H,3H2,1H3/b4-2-
InChIKeyOUBLIRNUIBUYNZ-RQOWECAXSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene?
The IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene (CID 10750852) is (Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene.
What is the SMILES notation for (Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene?
The canonical SMILES for (Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene is CO/C(=C\C(F)(F)F)CC(F)(F)F.
What is the InChIKey of (Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene?
The InChIKey is OUBLIRNUIBUYNZ-RQOWECAXSA-N. The full InChI is InChI=1S/C6H6F6O/c1-13-4(2-5(7,8)9)3-6(10,11)12/h2H,3H2,1H3/b4-2-.
What are the key properties of (Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene?
(Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene has a molecular weight of 208.10 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,5,5,5-hexafluoro-3-methoxypent-2-ene is sourced from PubChem (CID 10750852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).