2-methyl-4-(trifluoromethoxy)pent-1-ene

C7H11F3O — CID 134560259

IUPAC2-methyl-4-(trifluoromethoxy)pent-1-ene
SMILESC=C(C)CC(C)OC(F)(F)F
InChIInChI=1S/C7H11F3O/c1-5(2)4-6(3)11-7(8,9)10/h6H,1,4H2,2-3H3
InChIKeyRRDRHJHVLWRWRK-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.88
Rot. Bonds3

About 2-methyl-4-(trifluoromethoxy)pent-1-ene

2-methyl-4-(trifluoromethoxy)pent-1-ene (PubChem CID 134560259) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethoxy)pent-1-ene.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethoxy)pent-1-ene
PubChem CID134560259
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-methyl-4-(trifluoromethoxy)pent-1-ene
SMILESC=C(C)CC(C)OC(F)(F)F
InChIInChI=1S/C7H11F3O/c1-5(2)4-6(3)11-7(8,9)10/h6H,1,4H2,2-3H3
InChIKeyRRDRHJHVLWRWRK-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.88
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 2-methyl-4-(trifluoromethoxy)pent-1-ene?
The IUPAC name of 2-methyl-4-(trifluoromethoxy)pent-1-ene (CID 134560259) is 2-methyl-4-(trifluoromethoxy)pent-1-ene.
What is the SMILES notation for 2-methyl-4-(trifluoromethoxy)pent-1-ene?
The canonical SMILES for 2-methyl-4-(trifluoromethoxy)pent-1-ene is C=C(C)CC(C)OC(F)(F)F.
What is the InChIKey of 2-methyl-4-(trifluoromethoxy)pent-1-ene?
The InChIKey is RRDRHJHVLWRWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-5(2)4-6(3)11-7(8,9)10/h6H,1,4H2,2-3H3.
What are the key properties of 2-methyl-4-(trifluoromethoxy)pent-1-ene?
2-methyl-4-(trifluoromethoxy)pent-1-ene has a molecular weight of 168.16 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethoxy)pent-1-ene is sourced from PubChem (CID 134560259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).