1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene

C14H15F3 — CID 87921363

IUPAC1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
SMILESCC1=CC=C(C2=CC=C(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H15F3/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15,16)17/h2,4,6,8H,3,5,7,9H2,1H3
InChIKeyQKYVUPLVXIAJKP-UHFFFAOYSA-N
MW240.27 g/mol
LogP4.86
Rot. Bonds1

About 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene

1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene (PubChem CID 87921363) has the molecular formula C14H15F3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
PubChem CID87921363
Molecular FormulaC14H15F3
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
SMILESCC1=CC=C(C2=CC=C(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H15F3/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15,16)17/h2,4,6,8H,3,5,7,9H2,1H3
InChIKeyQKYVUPLVXIAJKP-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The IUPAC name of 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene (CID 87921363) is 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The canonical SMILES for 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene is CC1=CC=C(C2=CC=C(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The InChIKey is QKYVUPLVXIAJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15,16)17/h2,4,6,8H,3,5,7,9H2,1H3.
What are the key properties of 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene has a molecular weight of 240.27 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 87921363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).