2-(trifluoromethoxy)pent-2-ene

C6H9F3O — CID 91558348

IUPAC2-(trifluoromethoxy)pent-2-ene
SMILESCCC=C(C)OC(F)(F)F
InChIInChI=1S/C6H9F3O/c1-3-4-5(2)10-6(7,8)9/h4H,3H2,1-2H3
InChIKeyKJCXNHPNPVNADY-UHFFFAOYSA-N
MW154.13 g/mol
LogP2.84
Rot. Bonds2

About 2-(trifluoromethoxy)pent-2-ene

2-(trifluoromethoxy)pent-2-ene (PubChem CID 91558348) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-(trifluoromethoxy)pent-2-ene.

Molecular Properties

Compound Name2-(trifluoromethoxy)pent-2-ene
PubChem CID91558348
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name2-(trifluoromethoxy)pent-2-ene
SMILESCCC=C(C)OC(F)(F)F
InChIInChI=1S/C6H9F3O/c1-3-4-5(2)10-6(7,8)9/h4H,3H2,1-2H3
InChIKeyKJCXNHPNPVNADY-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.84
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 2-(trifluoromethoxy)pent-2-ene?
The IUPAC name of 2-(trifluoromethoxy)pent-2-ene (CID 91558348) is 2-(trifluoromethoxy)pent-2-ene.
What is the SMILES notation for 2-(trifluoromethoxy)pent-2-ene?
The canonical SMILES for 2-(trifluoromethoxy)pent-2-ene is CCC=C(C)OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)pent-2-ene?
The InChIKey is KJCXNHPNPVNADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-3-4-5(2)10-6(7,8)9/h4H,3H2,1-2H3.
What are the key properties of 2-(trifluoromethoxy)pent-2-ene?
2-(trifluoromethoxy)pent-2-ene has a molecular weight of 154.13 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)pent-2-ene is sourced from PubChem (CID 91558348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).