(3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne

C10H13F3O — CID 143349965

IUPAC(3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne
SMILESC#CC.C=C(C)/C=C\COC(F)(F)F
InChIInChI=1S/C7H9F3O.C3H4/c1-6(2)4-3-5-11-7(8,9)10;1-3-2/h3-4H,1,5H2,2H3;1H,2H3/b4-3-;
InChIKeyLYGPNXINRKKELC-LNKPDPKZSA-N
MW206.21 g/mol
LogP3.29
Rot. Bonds3

About (3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne

(3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne (PubChem CID 143349965) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is (3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne.

Molecular Properties

Compound Name(3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne
PubChem CID143349965
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name(3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne
SMILESC#CC.C=C(C)/C=C\COC(F)(F)F
InChIInChI=1S/C7H9F3O.C3H4/c1-6(2)4-3-5-11-7(8,9)10;1-3-2/h3-4H,1,5H2,2H3;1H,2H3/b4-3-;
InChIKeyLYGPNXINRKKELC-LNKPDPKZSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne 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 (3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne?
The IUPAC name of (3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne (CID 143349965) is (3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne.
What is the SMILES notation for (3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne?
The canonical SMILES for (3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne is C#CC.C=C(C)/C=C\COC(F)(F)F.
What is the InChIKey of (3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne?
The InChIKey is LYGPNXINRKKELC-LNKPDPKZSA-N. The full InChI is InChI=1S/C7H9F3O.C3H4/c1-6(2)4-3-5-11-7(8,9)10;1-3-2/h3-4H,1,5H2,2H3;1H,2H3/b4-3-;.
What are the key properties of (3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne?
(3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne has a molecular weight of 206.21 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methyl-5-(trifluoromethoxy)penta-1,3-diene;prop-1-yne is sourced from PubChem (CID 143349965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).