1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine

C10H16ClFN2 — CID 143473476

IUPAC1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine
SMILESC=C(NC)NC(C)/C=C\C(F)=C(/C)Cl
InChIInChI=1S/C10H16ClFN2/c1-7(14-9(3)13-4)5-6-10(12)8(2)11/h5-7,13-14H,3H2,1-2,4H3/b6-5-,10-8-
InChIKeyUHXCJSXAZCTGBN-XUTLIFGGSA-N
MW218.70 g/mol
LogP2.65
Rot. Bonds5

About 1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine

1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine (PubChem CID 143473476) has the molecular formula C10H16ClFN2 and a molecular weight of 218.70 g/mol. Its IUPAC name is 1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine
PubChem CID143473476
Molecular FormulaC10H16ClFN2
Molecular Weight218.70 g/mol
Exact Mass218.10
IUPAC Name1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine
SMILESC=C(NC)NC(C)/C=C\C(F)=C(/C)Cl
InChIInChI=1S/C10H16ClFN2/c1-7(14-9(3)13-4)5-6-10(12)8(2)11/h5-7,13-14H,3H2,1-2,4H3/b6-5-,10-8-
InChIKeyUHXCJSXAZCTGBN-XUTLIFGGSA-N
XLogP2.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-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 1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine?
The IUPAC name of 1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine (CID 143473476) is 1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine?
The canonical SMILES for 1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine is C=C(NC)NC(C)/C=C\C(F)=C(/C)Cl.
What is the InChIKey of 1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine?
The InChIKey is UHXCJSXAZCTGBN-XUTLIFGGSA-N. The full InChI is InChI=1S/C10H16ClFN2/c1-7(14-9(3)13-4)5-6-10(12)8(2)11/h5-7,13-14H,3H2,1-2,4H3/b6-5-,10-8-.
What are the key properties of 1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine?
1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine has a molecular weight of 218.70 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine is sourced from PubChem (CID 143473476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).