1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene

C13H15F3O — CID 173445400

IUPAC1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene
SMILESCC=CC(C)(C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3O/c1-4-9-12(2,3)17-11-7-5-10(6-8-11)13(14,15)16/h4-9H,1-3H3
InChIKeyDYDSZGUTYOEPDD-UHFFFAOYSA-N
MW244.26 g/mol
LogP4.44
Rot. Bonds3

About 1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene

1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene (PubChem CID 173445400) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene
PubChem CID173445400
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene
SMILESCC=CC(C)(C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3O/c1-4-9-12(2,3)17-11-7-5-10(6-8-11)13(14,15)16/h4-9H,1-3H3
InChIKeyDYDSZGUTYOEPDD-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 54.44
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 1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene (CID 173445400) is 1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene is CC=CC(C)(C)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene?
The InChIKey is DYDSZGUTYOEPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-4-9-12(2,3)17-11-7-5-10(6-8-11)13(14,15)16/h4-9H,1-3H3.
What are the key properties of 1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene?
1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene has a molecular weight of 244.26 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 173445400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).