(Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane

C10H19FN2O2 — CID 142225130

IUPAC(Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane
SMILESCC.N/C=N/C/C(F)=C/CCCC(=O)O
InChIInChI=1S/C8H13FN2O2.C2H6/c9-7(5-11-6-10)3-1-2-4-8(12)13;1-2/h3,6H,1-2,4-5H2,(H2,10,11)(H,12,13);1-2H3/b7-3-;
InChIKeyJWFUMXNYQLZIRG-WYLUAFJRSA-N
MW218.27 g/mol
LogP2.11
Rot. Bonds6

About (Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane

(Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane (PubChem CID 142225130) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is (Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane.

Molecular Properties

Compound Name(Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane
PubChem CID142225130
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name(Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane
SMILESCC.N/C=N/C/C(F)=C/CCCC(=O)O
InChIInChI=1S/C8H13FN2O2.C2H6/c9-7(5-11-6-10)3-1-2-4-8(12)13;1-2/h3,6H,1-2,4-5H2,(H2,10,11)(H,12,13);1-2H3/b7-3-;
InChIKeyJWFUMXNYQLZIRG-WYLUAFJRSA-N
XLogP2.11
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane 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

(E)-7-(aminomethylideneamino)-6-methylhept-5-enoic acid;ethane
CID 142831800
6,6-difluorohex-5-enoic acid
CID 11298056
6,6-difluorohex-5-enoic acid chloride
CID 86749714
5-(aminomethylideneamino)pentanoic acid
CID 142073691
(E)-6-fluoro-7-[formyl-[(Z)-N-methoxy-C-methylcarbonimidoyl]amino]hept-5-enoic acid
CID 142092283
(5Z,8E,11E,14E)-6-fluoroicosa-5,8,11,14-tetraenoic acid
CID 19752477
(E)-7-(1-aminoethylideneamino)-5-fluorohept-5-enoic acid
CID 142092307
non-4-ene-1,5,9-tricarboxylic acid
CID 71396049
6,7-dimethyloct-5-enoic acid
CID 162716838
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782
(E)-2-methylnon-2-enedioic acid
CID 87072449
1,1-difluorobut-1-ene;pentanoic acid
CID 174479516

Frequently Asked Questions

What is the IUPAC name of (Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane?
The IUPAC name of (Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane (CID 142225130) is (Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane.
What is the SMILES notation for (Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane?
The canonical SMILES for (Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane is CC.N/C=N/C/C(F)=C/CCCC(=O)O.
What is the InChIKey of (Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane?
The InChIKey is JWFUMXNYQLZIRG-WYLUAFJRSA-N. The full InChI is InChI=1S/C8H13FN2O2.C2H6/c9-7(5-11-6-10)3-1-2-4-8(12)13;1-2/h3,6H,1-2,4-5H2,(H2,10,11)(H,12,13);1-2H3/b7-3-;.
What are the key properties of (Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane?
(Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane has a molecular weight of 218.27 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-(aminomethylideneamino)-6-fluorohept-5-enoic acid;ethane is sourced from PubChem (CID 142225130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).