(E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene

C7H9F5O — CID 173027008

IUPAC(E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene
SMILESCOC/C=C(\C)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5O/c1-5(3-4-13-2)6(8,9)7(10,11)12/h3H,4H2,1-2H3/b5-3+
InChIKeyCTVIUOWOEHYGSP-HWKANZROSA-N
MW204.14 g/mol
LogP2.78
Rot. Bonds3

About (E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene

(E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene (PubChem CID 173027008) has the molecular formula C7H9F5O and a molecular weight of 204.14 g/mol. Its IUPAC name is (E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene.

Molecular Properties

Compound Name(E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene
PubChem CID173027008
Molecular FormulaC7H9F5O
Molecular Weight204.14 g/mol
Exact Mass204.06
IUPAC Name(E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene
SMILESCOC/C=C(\C)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5O/c1-5(3-4-13-2)6(8,9)7(10,11)12/h3H,4H2,1-2H3/b5-3+
InChIKeyCTVIUOWOEHYGSP-HWKANZROSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 52.78
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene?
The IUPAC name of (E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene (CID 173027008) is (E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene.
What is the SMILES notation for (E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene?
The canonical SMILES for (E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene is COC/C=C(\C)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene?
The InChIKey is CTVIUOWOEHYGSP-HWKANZROSA-N. The full InChI is InChI=1S/C7H9F5O/c1-5(3-4-13-2)6(8,9)7(10,11)12/h3H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene?
(E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene has a molecular weight of 204.14 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,5,5,5-pentafluoro-1-methoxy-3-methylpent-2-ene is sourced from PubChem (CID 173027008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).