1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene

C14H17F3 — CID 89211227

IUPAC1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene
SMILESC=C1CCCC(C)=C1/C=C\C=C/CC(F)(F)F
InChIInChI=1S/C14H17F3/c1-11-7-6-8-12(2)13(11)9-4-3-5-10-14(15,16)17/h3-5,9H,1,6-8,10H2,2H3/b5-3-,9-4-
InChIKeyNAKLYMNDTVBOAD-SIJZXUBCSA-N
MW242.28 g/mol
LogP5.11
Rot. Bonds3

About 1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene

1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene (PubChem CID 89211227) has the molecular formula C14H17F3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene.

Molecular Properties

Compound Name1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene
PubChem CID89211227
Molecular FormulaC14H17F3
Molecular Weight242.28 g/mol
Exact Mass242.13
IUPAC Name1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene
SMILESC=C1CCCC(C)=C1/C=C\C=C/CC(F)(F)F
InChIInChI=1S/C14H17F3/c1-11-7-6-8-12(2)13(11)9-4-3-5-10-14(15,16)17/h3-5,9H,1,6-8,10H2,2H3/b5-3-,9-4-
InChIKeyNAKLYMNDTVBOAD-SIJZXUBCSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.28
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene?
The IUPAC name of 1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene (CID 89211227) is 1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene.
What is the SMILES notation for 1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene?
The canonical SMILES for 1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene is C=C1CCCC(C)=C1/C=C\C=C/CC(F)(F)F.
What is the InChIKey of 1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene?
The InChIKey is NAKLYMNDTVBOAD-SIJZXUBCSA-N. The full InChI is InChI=1S/C14H17F3/c1-11-7-6-8-12(2)13(11)9-4-3-5-10-14(15,16)17/h3-5,9H,1,6-8,10H2,2H3/b5-3-,9-4-.
What are the key properties of 1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene?
1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene has a molecular weight of 242.28 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene is sourced from PubChem (CID 89211227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).