1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine

C14H18F3N — CID 142185265

IUPAC1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine
SMILESFC(F)(F)/C1=C/C=C(/N2CCCC2)CCCC=C1
InChIInChI=1S/C14H18F3N/c15-14(16,17)12-6-2-1-3-7-13(9-8-12)18-10-4-5-11-18/h2,6,8-9H,1,3-5,7,10-11H2/b6-2?,12-8+,13-9+
InChIKeyIMIRAUXVYZFJTH-SYJRORQRSA-N
MW257.30 g/mol
LogP4.19
Rot. Bonds1

About 1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine

1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine (PubChem CID 142185265) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine
PubChem CID142185265
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine
SMILESFC(F)(F)/C1=C/C=C(/N2CCCC2)CCCC=C1
InChIInChI=1S/C14H18F3N/c15-14(16,17)12-6-2-1-3-7-13(9-8-12)18-10-4-5-11-18/h2,6,8-9H,1,3-5,7,10-11H2/b6-2?,12-8+,13-9+
InChIKeyIMIRAUXVYZFJTH-SYJRORQRSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine 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-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine?
The IUPAC name of 1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine (CID 142185265) is 1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine.
What is the SMILES notation for 1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine?
The canonical SMILES for 1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine is FC(F)(F)/C1=C/C=C(/N2CCCC2)CCCC=C1.
What is the InChIKey of 1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine?
The InChIKey is IMIRAUXVYZFJTH-SYJRORQRSA-N. The full InChI is InChI=1S/C14H18F3N/c15-14(16,17)12-6-2-1-3-7-13(9-8-12)18-10-4-5-11-18/h2,6,8-9H,1,3-5,7,10-11H2/b6-2?,12-8+,13-9+.
What are the key properties of 1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine?
1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine has a molecular weight of 257.30 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine is sourced from PubChem (CID 142185265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).