N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine

C11H18F2N2 — CID 142234261

IUPACN'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine
SMILESC=C(F)/C=C\C(=C)N(C)CCN(F)CC
InChIInChI=1S/C11H18F2N2/c1-5-15(13)9-8-14(4)11(3)7-6-10(2)12/h6-7H,2-3,5,8-9H2,1,4H3/b7-6-
InChIKeyDPYPXTYCGCVUBF-SREVYHEPSA-N
MW216.27 g/mol
LogP2.68
Rot. Bonds7

About N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine

N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine (PubChem CID 142234261) has the molecular formula C11H18F2N2 and a molecular weight of 216.27 g/mol. Its IUPAC name is N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine
PubChem CID142234261
Molecular FormulaC11H18F2N2
Molecular Weight216.27 g/mol
Exact Mass216.14
IUPAC NameN'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine
SMILESC=C(F)/C=C\C(=C)N(C)CCN(F)CC
InChIInChI=1S/C11H18F2N2/c1-5-15(13)9-8-14(4)11(3)7-6-10(2)12/h6-7H,2-3,5,8-9H2,1,4H3/b7-6-
InChIKeyDPYPXTYCGCVUBF-SREVYHEPSA-N
XLogP2.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine 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 N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine (CID 142234261) is N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine is C=C(F)/C=C\C(=C)N(C)CCN(F)CC.
What is the InChIKey of N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine?
The InChIKey is DPYPXTYCGCVUBF-SREVYHEPSA-N. The full InChI is InChI=1S/C11H18F2N2/c1-5-15(13)9-8-14(4)11(3)7-6-10(2)12/h6-7H,2-3,5,8-9H2,1,4H3/b7-6-.
What are the key properties of N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine?
N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine has a molecular weight of 216.27 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-fluoro-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 142234261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).