(2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine

C9H13ClFN — CID 137432143

IUPAC(2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine
SMILESC=CN/C(C)=C(Cl)/C(F)=C\CC
InChIInChI=1S/C9H13ClFN/c1-4-6-8(11)9(10)7(3)12-5-2/h5-6,12H,2,4H2,1,3H3/b8-6+,9-7-
InChIKeyKNDNKQGWVZRWHL-FFELTBSMSA-N
MW189.66 g/mol
LogP3.45
Rot. Bonds4

About (2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine

(2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine (PubChem CID 137432143) has the molecular formula C9H13ClFN and a molecular weight of 189.66 g/mol. Its IUPAC name is (2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine
PubChem CID137432143
Molecular FormulaC9H13ClFN
Molecular Weight189.66 g/mol
Exact Mass189.07
IUPAC Name(2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine
SMILESC=CN/C(C)=C(Cl)/C(F)=C\CC
InChIInChI=1S/C9H13ClFN/c1-4-6-8(11)9(10)7(3)12-5-2/h5-6,12H,2,4H2,1,3H3/b8-6+,9-7-
InChIKeyKNDNKQGWVZRWHL-FFELTBSMSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.66
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloropicoline
CID 19964169
(2E,4E)-N-ethenyl-5-fluoro-6-methylhepta-2,4,6-trien-2-amine
CID 130321519
(1E,3Z)-2-chloro-4-fluoro-N-propan-2-ylhexa-1,3-dien-1-amine
CID 139340918
2-chloro-5-fluoro-2-methyl-1H-pyridine
CID 140555369
5-chloro-4-fluoro-N-methylcyclohepta-1,3,5-trien-1-amine
CID 155329831
2-chloro-3,4-difluoro-N-methylcyclohepta-1,3,5-trien-1-amine
CID 143241091
6-chloro-6-methyl-1H-pyridin-3-amine
CID 67213872
(3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine
CID 134444151
(1Z,3E)-3-chloro-2-methyl-N-prop-1-en-2-ylhexa-1,3,5-trien-1-amine
CID 137532707
(1E,3E)-2-chloro-N-propan-2-ylhexa-1,3-dien-1-amine
CID 139340993
6-chloro-N,6-dimethyl-1H-pyridin-3-amine
CID 150427291
6-chloro-N-ethyl-6-methyl-1H-pyridin-3-amine
CID 151105527

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine (CID 137432143) is (2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine is C=CN/C(C)=C(Cl)/C(F)=C\CC.
What is the InChIKey of (2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine?
The InChIKey is KNDNKQGWVZRWHL-FFELTBSMSA-N. The full InChI is InChI=1S/C9H13ClFN/c1-4-6-8(11)9(10)7(3)12-5-2/h5-6,12H,2,4H2,1,3H3/b8-6+,9-7-.
What are the key properties of (2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine?
(2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine has a molecular weight of 189.66 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine is sourced from PubChem (CID 137432143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).