ethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride

C8H14FN — CID 144912390

IUPACethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/C(=C)C.CC
InChIInChI=1S/C6H8FN.C2H6/c1-4-6(7)8-5(2)3;1-2/h4H,1-2H2,3H3;1-2H3/b8-6-;
InChIKeyOUDNKRVNPOIBSR-PHZXCRFESA-N
MW143.20 g/mol
LogP3.10
Rot. Bonds2

About ethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride

ethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride (PubChem CID 144912390) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is ethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride.

Molecular Properties

Compound Nameethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride
PubChem CID144912390
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Nameethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/C(=C)C.CC
InChIInChI=1S/C6H8FN.C2H6/c1-4-6(7)8-5(2)3;1-2/h4H,1-2H2,3H3;1-2H3/b8-6-;
InChIKeyOUDNKRVNPOIBSR-PHZXCRFESA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-prop-1-en-2-ylbut-2-enimidoyl fluoride
CID 126641624
ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine
CID 143548562
(E)-N-[(1E)-1-fluorobuta-1,3-dienyl]butan-2-imine
CID 144064637
N-prop-1-en-2-ylprop-2-enimidoyl fluoride
CID 144912391
N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride
CID 155050849
N-[(1E)-1-fluorobuta-1,3-dienyl]butan-2-imine
CID 170296968
N-but-1-en-2-ylprop-2-enimidoyl fluoride
CID 177956694
N-[(Z)-but-2-en-2-yl]-3-fluorobut-3-en-2-imine
CID 168891820
ethane;N-prop-1-en-2-ylprop-2-enimidoyl chloride
CID 143507685
ethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine
CID 155698572
N-prop-1-en-2-ylprop-2-en-1-imine;yttrium
CID 155716860

Frequently Asked Questions

What is the IUPAC name of ethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride?
The IUPAC name of ethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride (CID 144912390) is ethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride.
What is the SMILES notation for ethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride?
The canonical SMILES for ethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride is C=C/C(F)=N/C(=C)C.CC.
What is the InChIKey of ethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride?
The InChIKey is OUDNKRVNPOIBSR-PHZXCRFESA-N. The full InChI is InChI=1S/C6H8FN.C2H6/c1-4-6(7)8-5(2)3;1-2/h4H,1-2H2,3H3;1-2H3/b8-6-;.
What are the key properties of ethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride?
ethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride has a molecular weight of 143.20 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-prop-1-en-2-ylprop-2-enimidoyl fluoride is sourced from PubChem (CID 144912390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).