5,5,5-trifluoro-4-prop-2-enoxypent-1-ene

C8H11F3O — CID 86077577

IUPAC5,5,5-trifluoro-4-prop-2-enoxypent-1-ene
SMILESC=CCOC(CC=C)C(F)(F)F
InChIInChI=1S/C8H11F3O/c1-3-5-7(8(9,10)11)12-6-4-2/h3-4,7H,1-2,5-6H2
InChIKeySKDDYTISYCIHDQ-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.70
Rot. Bonds5

About 5,5,5-trifluoro-4-prop-2-enoxypent-1-ene

5,5,5-trifluoro-4-prop-2-enoxypent-1-ene (PubChem CID 86077577) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-prop-2-enoxypent-1-ene.

Molecular Properties

Compound Name5,5,5-trifluoro-4-prop-2-enoxypent-1-ene
PubChem CID86077577
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name5,5,5-trifluoro-4-prop-2-enoxypent-1-ene
SMILESC=CCOC(CC=C)C(F)(F)F
InChIInChI=1S/C8H11F3O/c1-3-5-7(8(9,10)11)12-6-4-2/h3-4,7H,1-2,5-6H2
InChIKeySKDDYTISYCIHDQ-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-prop-2-enoxypent-1-ene?
The IUPAC name of 5,5,5-trifluoro-4-prop-2-enoxypent-1-ene (CID 86077577) is 5,5,5-trifluoro-4-prop-2-enoxypent-1-ene.
What is the SMILES notation for 5,5,5-trifluoro-4-prop-2-enoxypent-1-ene?
The canonical SMILES for 5,5,5-trifluoro-4-prop-2-enoxypent-1-ene is C=CCOC(CC=C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-prop-2-enoxypent-1-ene?
The InChIKey is SKDDYTISYCIHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-3-5-7(8(9,10)11)12-6-4-2/h3-4,7H,1-2,5-6H2.
What are the key properties of 5,5,5-trifluoro-4-prop-2-enoxypent-1-ene?
5,5,5-trifluoro-4-prop-2-enoxypent-1-ene has a molecular weight of 180.17 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-prop-2-enoxypent-1-ene is sourced from PubChem (CID 86077577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).