(E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene

C10H17F3O — CID 167080202

IUPAC(E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene
SMILESCOC(C/C=C(\C)C(F)(F)F)C(C)C
InChIInChI=1S/C10H17F3O/c1-7(2)9(14-4)6-5-8(3)10(11,12)13/h5,7,9H,6H2,1-4H3/b8-5+
InChIKeyCKKVDZPIHYONLS-VMPITWQZSA-N
MW210.24 g/mol
LogP3.56
Rot. Bonds4

About (E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene

(E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene (PubChem CID 167080202) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene
PubChem CID167080202
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name(E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene
SMILESCOC(C/C=C(\C)C(F)(F)F)C(C)C
InChIInChI=1S/C10H17F3O/c1-7(2)9(14-4)6-5-8(3)10(11,12)13/h5,7,9H,6H2,1-4H3/b8-5+
InChIKeyCKKVDZPIHYONLS-VMPITWQZSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.56
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-5-methoxy-2,6-dimethylhept-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-5-methoxy-2,6-dimethylhept-2-ene?
The IUPAC name of (E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene (CID 167080202) is (E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene.
What is the SMILES notation for (E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene?
The canonical SMILES for (E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene is COC(C/C=C(\C)C(F)(F)F)C(C)C.
What is the InChIKey of (E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene?
The InChIKey is CKKVDZPIHYONLS-VMPITWQZSA-N. The full InChI is InChI=1S/C10H17F3O/c1-7(2)9(14-4)6-5-8(3)10(11,12)13/h5,7,9H,6H2,1-4H3/b8-5+.
What are the key properties of (E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene?
(E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene has a molecular weight of 210.24 g/mol, XLogP of 3.56, 4 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-5-methoxy-2,6-dimethylhept-2-ene is sourced from PubChem (CID 167080202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).