(3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene

C10H13F3O — CID 143559913

IUPAC(3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene
SMILESC=C(C)/C=C\C(=C)OCCC(F)(F)F
InChIInChI=1S/C10H13F3O/c1-8(2)4-5-9(3)14-7-6-10(11,12)13/h4-5H,1,3,6-7H2,2H3/b5-4-
InChIKeyMNPMNYSSGKCECY-PLNGDYQASA-N
MW206.21 g/mol
LogP3.60
Rot. Bonds5

About (3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene

(3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene (PubChem CID 143559913) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is (3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene
PubChem CID143559913
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name(3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene
SMILESC=C(C)/C=C\C(=C)OCCC(F)(F)F
InChIInChI=1S/C10H13F3O/c1-8(2)4-5-9(3)14-7-6-10(11,12)13/h4-5H,1,3,6-7H2,2H3/b5-4-
InChIKeyMNPMNYSSGKCECY-PLNGDYQASA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene with MolForge

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

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-3-prop-1-en-2-yloxypropane
CID 162573661
ethane;3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropan-1-ol
CID 153333983
(3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene
CID 144927287
(3Z)-2-methyl-5-(2-methylbutoxy)hexa-1,3,5-triene
CID 143084767
ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene
CID 143724412
2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]ethanone;ruthenium(1+)
CID 171071118
ethane;(3Z)-2-methoxy-5-methylhexa-1,3,5-triene
CID 144626557
2-(3,3,3-trifluoropropoxy)ethyl 2-methylprop-2-enoate
CID 121324189
(3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene
CID 102247567
3,3,3-trifluoropropyl carbamate
CID 3768992
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
ethyl 3,3,3-trifluoropropyl carbonate
CID 134583803

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene?
The IUPAC name of (3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene (CID 143559913) is (3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene?
The canonical SMILES for (3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene is C=C(C)/C=C\C(=C)OCCC(F)(F)F.
What is the InChIKey of (3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene?
The InChIKey is MNPMNYSSGKCECY-PLNGDYQASA-N. The full InChI is InChI=1S/C10H13F3O/c1-8(2)4-5-9(3)14-7-6-10(11,12)13/h4-5H,1,3,6-7H2,2H3/b5-4-.
What are the key properties of (3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene?
(3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene has a molecular weight of 206.21 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene is sourced from PubChem (CID 143559913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).