1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene

C11H13F3 — CID 70495787

IUPAC1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC=CC1(C(F)(F)F)C=CC=C(C)C1
InChIInChI=1S/C11H13F3/c1-3-6-10(11(12,13)14)7-4-5-9(2)8-10/h3-7H,8H2,1-2H3
InChIKeyNIJCFAOTXWQHLF-UHFFFAOYSA-N
MW202.22 g/mol
LogP4.02
Rot. Bonds1

About 1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene

1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 70495787) has the molecular formula C11H13F3 and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID70495787
Molecular FormulaC11H13F3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC=CC1(C(F)(F)F)C=CC=C(C)C1
InChIInChI=1S/C11H13F3/c1-3-6-10(11(12,13)14)7-4-5-9(2)8-10/h3-7H,8H2,1-2H3
InChIKeyNIJCFAOTXWQHLF-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-5-prop-1-enyl-5-(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

Cyclohexene, 3,3-dimethyl-6-methylene-
CID 572074
6,6,7,7,8,8,8-Heptafluoro-5,5-bis(trifluoromethyl)octa-1,3-diene
CID 91972108
6,6,7,7,8,8,8-Heptafluoro-5,5-bis(trifluoromethyl)-1,3-octadiene
CID 122360969
1,5,5-Trimethylcyclohexa-1,3-diene
CID 12983934
2-Methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 14641387
1-Methyl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 14641388
1-Methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22171100
1,3,5-Trimethylstyrene
CID 129694539
1,3-Dimethyl-3-butenyl-benzene
CID 129866240
(5Z)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene
CID 11727067
(5E)-3-tert-butyl-5-(1,2,2,3,3,3-hexafluoropropylidene)-2-methyl-1-prop-1-en-2-ylcyclopenta-1,3-diene
CID 177540268
6-Methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 17900785

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene (CID 70495787) is 1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene is CC=CC1(C(F)(F)F)C=CC=C(C)C1.
What is the InChIKey of 1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is NIJCFAOTXWQHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3/c1-3-6-10(11(12,13)14)7-4-5-9(2)8-10/h3-7H,8H2,1-2H3.
What are the key properties of 1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene?
1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 202.22 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-prop-1-enyl-5-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 70495787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).