(1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine

C6H8ClFN2 — CID 129096112

IUPAC(1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine
SMILESC=N/C(Cl)=C(F)\C(N)=C/C
InChIInChI=1S/C6H8ClFN2/c1-3-4(9)5(8)6(7)10-2/h3H,2,9H2,1H3/b4-3+,6-5+
InChIKeyFBRMOJUVXGZAFL-VNKDHWASSA-N
MW162.59 g/mol
LogP1.93
Rot. Bonds2

About (1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine

(1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine (PubChem CID 129096112) has the molecular formula C6H8ClFN2 and a molecular weight of 162.59 g/mol. Its IUPAC name is (1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine
PubChem CID129096112
Molecular FormulaC6H8ClFN2
Molecular Weight162.59 g/mol
Exact Mass162.04
IUPAC Name(1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine
SMILESC=N/C(Cl)=C(F)\C(N)=C/C
InChIInChI=1S/C6H8ClFN2/c1-3-4(9)5(8)6(7)10-2/h3H,2,9H2,1H3/b4-3+,6-5+
InChIKeyFBRMOJUVXGZAFL-VNKDHWASSA-N
XLogP1.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.59
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-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

(3Z)-3-bromo-4-chloro-4-(methylideneamino)buta-1,3-dien-2-amine
CID 172622339
N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
CID 162583769
(1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine
CID 89064716
N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine
CID 154656713
4-methylhexa-2,4,5-trien-3-amine
CID 176543493
(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine
CID 144654304
(3E)-3-chloro-2-fluoropenta-1,3-diene
CID 143057342
2-(methylideneamino)but-2-en-1-ol
CID 123260913
(E,4Z)-4-hydrazinylidenepent-2-en-3-amine
CID 166689118
(2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine
CID 146426453
(E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane
CID 153392281
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine?
The IUPAC name of (1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine (CID 129096112) is (1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine.
What is the SMILES notation for (1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine?
The canonical SMILES for (1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine is C=N/C(Cl)=C(F)\C(N)=C/C.
What is the InChIKey of (1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine?
The InChIKey is FBRMOJUVXGZAFL-VNKDHWASSA-N. The full InChI is InChI=1S/C6H8ClFN2/c1-3-4(9)5(8)6(7)10-2/h3H,2,9H2,1H3/b4-3+,6-5+.
What are the key properties of (1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine?
(1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine has a molecular weight of 162.59 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine is sourced from PubChem (CID 129096112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).