(Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene

C9H15F3O — CID 89023580

IUPAC(Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene
SMILESC/C=C\C(CC)(COC)C(F)(F)F
InChIInChI=1S/C9H15F3O/c1-4-6-8(5-2,7-13-3)9(10,11)12/h4,6H,5,7H2,1-3H3/b6-4-
InChIKeyLNSQQTHNRSDLIE-XQRVVYSFSA-N
MW196.21 g/mol
LogP3.17
Rot. Bonds4

About (Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene

(Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene (PubChem CID 89023580) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is (Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene.

Molecular Properties

Compound Name(Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene
PubChem CID89023580
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name(Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene
SMILESC/C=C\C(CC)(COC)C(F)(F)F
InChIInChI=1S/C9H15F3O/c1-4-6-8(5-2,7-13-3)9(10,11)12/h4,6H,5,7H2,1-3H3/b6-4-
InChIKeyLNSQQTHNRSDLIE-XQRVVYSFSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-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 (Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene?
The IUPAC name of (Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene (CID 89023580) is (Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene.
What is the SMILES notation for (Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene?
The canonical SMILES for (Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene is C/C=C\C(CC)(COC)C(F)(F)F.
What is the InChIKey of (Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene?
The InChIKey is LNSQQTHNRSDLIE-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H15F3O/c1-4-6-8(5-2,7-13-3)9(10,11)12/h4,6H,5,7H2,1-3H3/b6-4-.
What are the key properties of (Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene?
(Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene has a molecular weight of 196.21 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(methoxymethyl)-4-(trifluoromethyl)hex-2-ene is sourced from PubChem (CID 89023580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).