fluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine

C14H26F2N2S — CID 142263688

IUPACfluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine
SMILESC/C(N)=C\C=C(/C)N1CCSCC1.C/C=C/F.CF
InChIInChI=1S/C10H18N2S.C3H5F.CH3F/c1-9(11)3-4-10(2)12-5-7-13-8-6-12;1-2-3-4;1-2/h3-4H,5-8,11H2,1-2H3;2-3H,1H3;1H3/b9-3+,10-4+;3-2+;
InChIKeyPJXQCKKKUNYQLU-WKZLZPFPSA-N
MW292.44 g/mol
LogP3.88
Rot. Bonds2

About fluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine

fluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine (PubChem CID 142263688) has the molecular formula C14H26F2N2S and a molecular weight of 292.44 g/mol. Its IUPAC name is fluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Namefluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine
PubChem CID142263688
Molecular FormulaC14H26F2N2S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Namefluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine
SMILESC/C(N)=C\C=C(/C)N1CCSCC1.C/C=C/F.CF
InChIInChI=1S/C10H18N2S.C3H5F.CH3F/c1-9(11)3-4-10(2)12-5-7-13-8-6-12;1-2-3-4;1-2/h3-4H,5-8,11H2,1-2H3;2-3H,1H3;1H3/b9-3+,10-4+;3-2+;
InChIKeyPJXQCKKKUNYQLU-WKZLZPFPSA-N
XLogP3.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze fluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-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

Frequently Asked Questions

What is the IUPAC name of fluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine?
The IUPAC name of fluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine (CID 142263688) is fluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine.
What is the SMILES notation for fluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine?
The canonical SMILES for fluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine is C/C(N)=C\C=C(/C)N1CCSCC1.C/C=C/F.CF.
What is the InChIKey of fluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine?
The InChIKey is PJXQCKKKUNYQLU-WKZLZPFPSA-N. The full InChI is InChI=1S/C10H18N2S.C3H5F.CH3F/c1-9(11)3-4-10(2)12-5-7-13-8-6-12;1-2-3-4;1-2/h3-4H,5-8,11H2,1-2H3;2-3H,1H3;1H3/b9-3+,10-4+;3-2+;.
What are the key properties of fluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine?
fluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine has a molecular weight of 292.44 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;(E)-1-fluoroprop-1-ene;(2E,4E)-5-thiomorpholin-4-ylhexa-2,4-dien-2-amine is sourced from PubChem (CID 142263688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).