(E)-3-fluoro-5-methanimidoylhept-4-enal

C8H12FNO — CID 146922916

IUPAC(E)-3-fluoro-5-methanimidoylhept-4-enal
SMILES[H]/N=C/C(=C/C(F)CC=O)CC
InChIInChI=1S/C8H12FNO/c1-2-7(6-10)5-8(9)3-4-11/h4-6,8,10H,2-3H2,1H3/b7-5+,10-6+
InChIKeyADNOTOWKIPXMTE-YLNKAEQOSA-N
MW157.19 g/mol
LogP1.90
Rot. Bonds5

About (E)-3-fluoro-5-methanimidoylhept-4-enal

(E)-3-fluoro-5-methanimidoylhept-4-enal (PubChem CID 146922916) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (E)-3-fluoro-5-methanimidoylhept-4-enal.

Molecular Properties

Compound Name(E)-3-fluoro-5-methanimidoylhept-4-enal
PubChem CID146922916
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(E)-3-fluoro-5-methanimidoylhept-4-enal
SMILES[H]/N=C/C(=C/C(F)CC=O)CC
InChIInChI=1S/C8H12FNO/c1-2-7(6-10)5-8(9)3-4-11/h4-6,8,10H,2-3H2,1H3/b7-5+,10-6+
InChIKeyADNOTOWKIPXMTE-YLNKAEQOSA-N
XLogP1.90
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-fluoro-5-methanimidoylhept-4-enal 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

(Z)-5-chloro-2-ethylhept-2-en-1-imine
CID 90764978
(Z)-2-ethylhept-2-en-1-imine
CID 146336575
4-methanimidoylhex-4-en-3-one
CID 155692065
5-ethyl-3-methylhept-4-enal
CID 164909436
(E)-2-ethyl-4-methylpent-2-enal
CID 5463085
3-hydroxypentanal;methanamine
CID 174648159
(3S,4R)-3-fluoro-4-hydroxypentanal
CID 89287847
2-N-propan-2-ylbutane-1,2-diimine
CID 123596480
1-(ethylamino)-3-iminopropan-2-one
CID 123214763
(4Z)-4-methanimidoyl-3-[1-(methylamino)ethyl]hepta-4,6-dienal
CID 143177478
(Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine
CID 139554966
3-amino-1-iminobutan-2-one
CID 174343794

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-5-methanimidoylhept-4-enal?
The IUPAC name of (E)-3-fluoro-5-methanimidoylhept-4-enal (CID 146922916) is (E)-3-fluoro-5-methanimidoylhept-4-enal.
What is the SMILES notation for (E)-3-fluoro-5-methanimidoylhept-4-enal?
The canonical SMILES for (E)-3-fluoro-5-methanimidoylhept-4-enal is [H]/N=C/C(=C/C(F)CC=O)CC.
What is the InChIKey of (E)-3-fluoro-5-methanimidoylhept-4-enal?
The InChIKey is ADNOTOWKIPXMTE-YLNKAEQOSA-N. The full InChI is InChI=1S/C8H12FNO/c1-2-7(6-10)5-8(9)3-4-11/h4-6,8,10H,2-3H2,1H3/b7-5+,10-6+.
What are the key properties of (E)-3-fluoro-5-methanimidoylhept-4-enal?
(E)-3-fluoro-5-methanimidoylhept-4-enal has a molecular weight of 157.19 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-5-methanimidoylhept-4-enal is sourced from PubChem (CID 146922916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).