(3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene

C9H11F3O — CID 142939995

IUPAC(3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene
SMILESC=C(C)/C=C\C=C(/C)OC(F)(F)F
InChIInChI=1S/C9H11F3O/c1-7(2)5-4-6-8(3)13-9(10,11)12/h4-6H,1H2,2-3H3/b5-4-,8-6+
InChIKeyWVVWFDGCCJNBMH-GSGSLZOQSA-N
MW192.18 g/mol
LogP3.56
Rot. Bonds3

About (3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene

(3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene (PubChem CID 142939995) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is (3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene
PubChem CID142939995
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name(3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene
SMILESC=C(C)/C=C\C=C(/C)OC(F)(F)F
InChIInChI=1S/C9H11F3O/c1-7(2)5-4-6-8(3)13-9(10,11)12/h4-6H,1H2,2-3H3/b5-4-,8-6+
InChIKeyWVVWFDGCCJNBMH-GSGSLZOQSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 53.56
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'}

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Related Compounds

1-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 18671954
1-Methoxy-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 53942068
(5S)-5-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68330515
(6S)-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68348284
1-Methoxy-2-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 70262540
6-Methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 77487276
1-Methyl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 89192273
(3Z,5Z)-5-methyl-2-(trifluoromethoxy)hepta-1,3,5-triene
CID 89220895
(2Z,4E)-3-methyl-4-(trifluoromethoxy)hexa-2,4-diene
CID 89672815
8-(Fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene
CID 90998043
2-Methyl-4-(2,2,2-trifluoroethoxy)penta-1,3-diene
CID 91122464
1-Ethyl-5-(trifluoromethoxy)cyclohepta-1,2,4,6-tetraene
CID 91518121

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene (CID 142939995) is (3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene is C=C(C)/C=C\C=C(/C)OC(F)(F)F.
What is the InChIKey of (3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene?
The InChIKey is WVVWFDGCCJNBMH-GSGSLZOQSA-N. The full InChI is InChI=1S/C9H11F3O/c1-7(2)5-4-6-8(3)13-9(10,11)12/h4-6H,1H2,2-3H3/b5-4-,8-6+.
What are the key properties of (3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene?
(3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene has a molecular weight of 192.18 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2-methyl-6-(trifluoromethoxy)hepta-1,3,5-triene is sourced from PubChem (CID 142939995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).