4-(trifluoromethoxy)pent-1-ene

C6H9F3O — CID 134559798

IUPAC4-(trifluoromethoxy)pent-1-ene
SMILESC=CCC(C)OC(F)(F)F
InChIInChI=1S/C6H9F3O/c1-3-4-5(2)10-6(7,8)9/h3,5H,1,4H2,2H3
InChIKeyIEUAUBPYJYGNIA-UHFFFAOYSA-N
MW154.13 g/mol
LogP2.49
Rot. Bonds3

About 4-(trifluoromethoxy)pent-1-ene

4-(trifluoromethoxy)pent-1-ene (PubChem CID 134559798) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 4-(trifluoromethoxy)pent-1-ene.

Molecular Properties

Compound Name4-(trifluoromethoxy)pent-1-ene
PubChem CID134559798
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name4-(trifluoromethoxy)pent-1-ene
SMILESC=CCC(C)OC(F)(F)F
InChIInChI=1S/C6H9F3O/c1-3-4-5(2)10-6(7,8)9/h3,5H,1,4H2,2H3
InChIKeyIEUAUBPYJYGNIA-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.49
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 4-(trifluoromethoxy)pent-1-ene?
The IUPAC name of 4-(trifluoromethoxy)pent-1-ene (CID 134559798) is 4-(trifluoromethoxy)pent-1-ene.
What is the SMILES notation for 4-(trifluoromethoxy)pent-1-ene?
The canonical SMILES for 4-(trifluoromethoxy)pent-1-ene is C=CCC(C)OC(F)(F)F.
What is the InChIKey of 4-(trifluoromethoxy)pent-1-ene?
The InChIKey is IEUAUBPYJYGNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-3-4-5(2)10-6(7,8)9/h3,5H,1,4H2,2H3.
What are the key properties of 4-(trifluoromethoxy)pent-1-ene?
4-(trifluoromethoxy)pent-1-ene has a molecular weight of 154.13 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)pent-1-ene is sourced from PubChem (CID 134559798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).