(Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene

C7H5F9O — CID 91722772

IUPAC(Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene
SMILESCOC/C(=C(/F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c1-17-2-3(4(8)6(11,12)13)5(9,10)7(14,15)16/h2H2,1H3/b4-3-
InChIKeyOTSUXUFBICWTOW-ARJAWSKDSA-N
MW276.10 g/mol
LogP3.62
Rot. Bonds3

About (Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene

(Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene (PubChem CID 91722772) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is (Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene.

Molecular Properties

Compound Name(Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene
PubChem CID91722772
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name(Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene
SMILESCOC/C(=C(/F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c1-17-2-3(4(8)6(11,12)13)5(9,10)7(14,15)16/h2H2,1H3/b4-3-
InChIKeyOTSUXUFBICWTOW-ARJAWSKDSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene
CID 12696166
4-Ethoxy-1,1,1,2,3,4,5,5,5-nonafluoropent-2-ene
CID 12756904
1,1,1,3,4,4,5,5,5-Nonafluoro-2-(methoxymethyl)pent-2-ene
CID 91733916
4,4,5,5,5-Pentafluoro-1-methoxy-3-methylpent-2-ene
CID 91153095
(E)-1,1,2,3,4,4-hexafluoro-1-methoxypent-2-ene
CID 135128622
1,2,3,5-Tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene
CID 144833499
(E)-2,3,4,4,5,5-hexafluoro-1-methoxypent-2-ene
CID 163363611
2,3,3,4-Tetrafluoro-1-(methoxymethyl)cyclobutene
CID 164520820
(E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene
CID 173027008
1-Butoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene
CID 175759685
1-Ethoxy-1,1,2,3,4,4,5,5,5-nonafluoropent-2-ene
CID 175759824
1,1,2,3,4,4,5,5,5-Nonafluoro-1-propoxypent-2-ene
CID 175759833

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene?
The IUPAC name of (Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene (CID 91722772) is (Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene.
What is the SMILES notation for (Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene?
The canonical SMILES for (Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene is COC/C(=C(/F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene?
The InChIKey is OTSUXUFBICWTOW-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H5F9O/c1-17-2-3(4(8)6(11,12)13)5(9,10)7(14,15)16/h2H2,1H3/b4-3-.
What are the key properties of (Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene?
(Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene has a molecular weight of 276.10 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,2,4,4,5,5,5-nonafluoro-3-(methoxymethyl)pent-2-ene is sourced from PubChem (CID 91722772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).