(2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene

C10H15F3O — CID 143986498

IUPAC(2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene
SMILESC/C=C(COC)\C(=C/CC)C(F)(F)F
InChIInChI=1S/C10H15F3O/c1-4-6-9(10(11,12)13)8(5-2)7-14-3/h5-6H,4,7H2,1-3H3/b8-5-,9-6+
InChIKeyOALCAOWAYQMTEC-LDFAFZTOSA-N
MW208.22 g/mol
LogP3.48
Rot. Bonds4

About (2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene

(2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene (PubChem CID 143986498) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is (2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene
PubChem CID143986498
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name(2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene
SMILESC/C=C(COC)\C(=C/CC)C(F)(F)F
InChIInChI=1S/C10H15F3O/c1-4-6-9(10(11,12)13)8(5-2)7-14-3/h5-6H,4,7H2,1-3H3/b8-5-,9-6+
InChIKeyOALCAOWAYQMTEC-LDFAFZTOSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986472
5-(Difluoromethoxy)-1-methylcyclohexa-1,3-diene
CID 89337031
(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene
CID 89381334
3-Ethyl-4,4,5,5,5-pentafluoro-1-methoxypent-2-ene
CID 90995440
4,4,5,5,5-Pentafluoro-1-methoxy-3-methylpent-2-ene
CID 91153095
4,4,5,5,5-Pentafluoro-3-methyl-1-propoxypent-2-ene
CID 91172878
1-Ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene
CID 91449879
5-Fluoro-2-(methoxymethyl)cyclohexa-1,3-diene
CID 117790550
6,6-Difluoro-3-methoxy-5-methylhepta-2,4-diene
CID 123602472
1-Methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123682570
5-Methyl-6-methylidene-4,7-bis(trifluoromethoxymethyl)nona-2,4,7-triene
CID 124024739
(3E,5E)-6-fluoro-3-(methoxymethyl)hepta-1,3,5-triene
CID 130384114

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene?
The IUPAC name of (2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene (CID 143986498) is (2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene.
What is the SMILES notation for (2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene?
The canonical SMILES for (2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene is C/C=C(COC)\C(=C/CC)C(F)(F)F.
What is the InChIKey of (2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene?
The InChIKey is OALCAOWAYQMTEC-LDFAFZTOSA-N. The full InChI is InChI=1S/C10H15F3O/c1-4-6-9(10(11,12)13)8(5-2)7-14-3/h5-6H,4,7H2,1-3H3/b8-5-,9-6+.
What are the key properties of (2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene?
(2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene has a molecular weight of 208.22 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-(methoxymethyl)-4-(trifluoromethyl)hepta-2,4-diene is sourced from PubChem (CID 143986498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).