2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene

C10H11F3O — CID 163702022

IUPAC2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCO/C=C/C1=CCCC=C1C(F)(F)F
InChIInChI=1S/C10H11F3O/c1-14-7-6-8-4-2-3-5-9(8)10(11,12)13/h4-7H,2-3H2,1H3/b7-6+
InChIKeyKBVPPLNFNXDVAG-VOTSOKGWSA-N
MW204.19 g/mol
LogP3.36
Rot. Bonds2

About 2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene

2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 163702022) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID163702022
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCO/C=C/C1=CCCC=C1C(F)(F)F
InChIInChI=1S/C10H11F3O/c1-14-7-6-8-4-2-3-5-9(8)10(11,12)13/h4-7H,2-3H2,1H3/b7-6+
InChIKeyKBVPPLNFNXDVAG-VOTSOKGWSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene 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-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene
CID 10680429
3,6-Bis(trifluoromethyl)oxepine
CID 134915403
2-Benzoxepine
CID 20256803
1-[(Z)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene
CID 10798943
1-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 18671954
1-Methoxy-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 23137248
1-(2,2,2-Trifluoroethoxy)cyclohexa-1,3-diene
CID 23447871
1-Methoxy-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 53942068
1-Methoxy-2-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 70262540
(5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 71122739
5-(Methoxymethyl)-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 89270545
(6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene
CID 89339975

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene (CID 163702022) is 2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene is CO/C=C/C1=CCCC=C1C(F)(F)F.
What is the InChIKey of 2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is KBVPPLNFNXDVAG-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H11F3O/c1-14-7-6-8-4-2-3-5-9(8)10(11,12)13/h4-7H,2-3H2,1H3/b7-6+.
What are the key properties of 2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene?
2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 204.19 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methoxyethenyl]-3-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 163702022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).