(3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene

C9H11F3O — CID 121297396

IUPAC(3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C/C(=C(\C=C/C)OC)C(F)(F)F
InChIInChI=1S/C9H11F3O/c1-4-6-8(13-3)7(5-2)9(10,11)12/h4-6H,2H2,1,3H3/b6-4-,8-7-
InChIKeyKMBHMGOSJSUWNQ-MOIRPGTBSA-N
MW192.18 g/mol
LogP3.21
Rot. Bonds3

About (3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene

(3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene (PubChem CID 121297396) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is (3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene
PubChem CID121297396
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name(3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C/C(=C(\C=C/C)OC)C(F)(F)F
InChIInChI=1S/C9H11F3O/c1-4-6-8(13-3)7(5-2)9(10,11)12/h4-6H,2H2,1,3H3/b6-4-,8-7-
InChIKeyKMBHMGOSJSUWNQ-MOIRPGTBSA-N
XLogP3.21
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 ≤ 53.21
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

2-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21615684
Lithium 1-methoxy-4-(trifluoromethyl)benzene-5-ide
CID 57533427
Magnesium;1-methoxy-4-(trifluoromethyl)benzene-5-ide;bromide
CID 57533581
Carbanide;1,3-dimethyl-5-(trifluoromethoxy)benzene-6-ide;tungsten(2+)
CID 59592186
Carbanide;2,4-dimethyl-1-(trifluoromethoxy)benzene-5-ide;tungsten(2+)
CID 59592335
4-(trifluoromethyl)-2H-pyran
CID 70185127
(5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 71122739
2-Methoxy-5-trifluoromethylphenyllithium
CID 86735139
Lithium 1-ethoxy-3-(trifluoromethyl)benzene-2-ide
CID 88361979
Lithium;1-methoxy-3-(trifluoromethyl)benzene-2-ide
CID 88362075
(3Z)-3,4-difluoro-5-methoxy-2,6-dimethylhepta-1,3,5-triene
CID 88565170
2,5-Dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene
CID 88576082

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene (CID 121297396) is (3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene is C=C/C(=C(\C=C/C)OC)C(F)(F)F.
What is the InChIKey of (3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene?
The InChIKey is KMBHMGOSJSUWNQ-MOIRPGTBSA-N. The full InChI is InChI=1S/C9H11F3O/c1-4-6-8(13-3)7(5-2)9(10,11)12/h4-6H,2H2,1,3H3/b6-4-,8-7-.
What are the key properties of (3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene?
(3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene has a molecular weight of 192.18 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-methoxy-3-(trifluoromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 121297396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).