ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine

C10H20FN — CID 143800416

IUPACethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine
SMILESC=C/C(F)=C(/C)N=C.CC.CC
InChIInChI=1S/C6H8FN.2C2H6/c1-4-6(7)5(2)8-3;2*1-2/h4H,1,3H2,2H3;2*1-2H3/b6-5+;;
InChIKeyOVMYHTRVFBMRLJ-TXOOBNKBSA-N
MW173.27 g/mol
LogP4.13
Rot. Bonds2

About ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine

ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine (PubChem CID 143800416) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound Nameethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine
PubChem CID143800416
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Nameethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine
SMILESC=C/C(F)=C(/C)N=C.CC.CC
InChIInChI=1S/C6H8FN.2C2H6/c1-4-6(7)5(2)8-3;2*1-2/h4H,1,3H2,2H3;2*1-2H3/b6-5+;;
InChIKeyOVMYHTRVFBMRLJ-TXOOBNKBSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine 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

N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine
CID 143800417
N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine
CID 144753304
(3Z)-5-fluoro-N,N-dimethyl-4-(methylideneamino)hexa-1,3,5-trien-3-amine
CID 153621230
N-[(2Z,4Z)-6-fluorohexa-2,4-dien-2-yl]methanimine
CID 154674774
N-[(2E,4Z)-3-fluorohexa-2,4-dien-2-yl]methanimine
CID 155095809
N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine
CID 155129232
N-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]methanimine
CID 156158427
N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine
CID 163633243
N-[(2Z,4E)-4-fluorohexa-2,4-dien-2-yl]methanimine
CID 164071677
N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]methanimine
CID 162760953
N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine
CID 176684240
ethane;N-[(2Z)-penta-2,4-dien-2-yl]methanimine
CID 141829893

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine?
The IUPAC name of ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine (CID 143800416) is ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine is C=C/C(F)=C(/C)N=C.CC.CC.
What is the InChIKey of ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine?
The InChIKey is OVMYHTRVFBMRLJ-TXOOBNKBSA-N. The full InChI is InChI=1S/C6H8FN.2C2H6/c1-4-6(7)5(2)8-3;2*1-2/h4H,1,3H2,2H3;2*1-2H3/b6-5+;;.
What are the key properties of ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine?
ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine has a molecular weight of 173.27 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 143800416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).