(E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene

C8H13F3O — CID 167080208

IUPAC(E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene
SMILESCOC(/C=C/C(F)(F)F)C(C)C
InChIInChI=1S/C8H13F3O/c1-6(2)7(12-3)4-5-8(9,10)11/h4-7H,1-3H3/b5-4+
InChIKeyYVEINQPDVNHBHM-SNAWJCMRSA-N
MW182.18 g/mol
LogP2.78
Rot. Bonds3

About (E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene

(E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene (PubChem CID 167080208) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene
PubChem CID167080208
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name(E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene
SMILESCOC(/C=C/C(F)(F)F)C(C)C
InChIInChI=1S/C8H13F3O/c1-6(2)7(12-3)4-5-8(9,10)11/h4-7H,1-3H3/b5-4+
InChIKeyYVEINQPDVNHBHM-SNAWJCMRSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene?
The IUPAC name of (E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene (CID 167080208) is (E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene.
What is the SMILES notation for (E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene?
The canonical SMILES for (E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene is COC(/C=C/C(F)(F)F)C(C)C.
What is the InChIKey of (E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene?
The InChIKey is YVEINQPDVNHBHM-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H13F3O/c1-6(2)7(12-3)4-5-8(9,10)11/h4-7H,1-3H3/b5-4+.
What are the key properties of (E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene?
(E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene has a molecular weight of 182.18 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-4-methoxy-5-methylhex-2-ene is sourced from PubChem (CID 167080208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).