1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane

C14H23F2N — CID 142422851

IUPAC1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane
SMILESC=C/C(F)=C(/F)C(=C)N1CC(C)C(C)C1.CC
InChIInChI=1S/C12H17F2N.C2H6/c1-5-11(13)12(14)10(4)15-6-8(2)9(3)7-15;1-2/h5,8-9H,1,4,6-7H2,2-3H3;1-2H3/b12-11-;
InChIKeyOWARMFBZSNSEBK-AFEZEDKISA-N
MW243.34 g/mol
LogP4.45
Rot. Bonds3

About 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane

1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane (PubChem CID 142422851) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane.

Molecular Properties

Compound Name1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane
PubChem CID142422851
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC Name1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane
SMILESC=C/C(F)=C(/F)C(=C)N1CC(C)C(C)C1.CC
InChIInChI=1S/C12H17F2N.C2H6/c1-5-11(13)12(14)10(4)15-6-8(2)9(3)7-15;1-2/h5,8-9H,1,4,6-7H2,2-3H3;1-2H3/b12-11-;
InChIKeyOWARMFBZSNSEBK-AFEZEDKISA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane 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-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane?
The IUPAC name of 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane (CID 142422851) is 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane.
What is the SMILES notation for 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane?
The canonical SMILES for 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane is C=C/C(F)=C(/F)C(=C)N1CC(C)C(C)C1.CC.
What is the InChIKey of 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane?
The InChIKey is OWARMFBZSNSEBK-AFEZEDKISA-N. The full InChI is InChI=1S/C12H17F2N.C2H6/c1-5-11(13)12(14)10(4)15-6-8(2)9(3)7-15;1-2/h5,8-9H,1,4,6-7H2,2-3H3;1-2H3/b12-11-;.
What are the key properties of 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane?
1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane has a molecular weight of 243.34 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]-3,4-dimethylpyrrolidine;ethane is sourced from PubChem (CID 142422851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).