ethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride

C7H14FN — CID 144648789

IUPACethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride
SMILESC/C=C\N=C(/C)F.CC
InChIInChI=1S/C5H8FN.C2H6/c1-3-4-7-5(2)6;1-2/h3-4H,1-2H3;1-2H3/b4-3-,7-5+;
InChIKeyWGSSFAWJFXHNKR-LMMDHOJISA-N
MW131.19 g/mol
LogP2.93
Rot. Bonds1

About ethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride

ethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride (PubChem CID 144648789) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is ethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride.

Molecular Properties

Compound Nameethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride
PubChem CID144648789
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Nameethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride
SMILESC/C=C\N=C(/C)F.CC
InChIInChI=1S/C5H8FN.C2H6/c1-3-4-7-5(2)6;1-2/h3-4H,1-2H3;1-2H3/b4-3-,7-5+;
InChIKeyWGSSFAWJFXHNKR-LMMDHOJISA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride?
The IUPAC name of ethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride (CID 144648789) is ethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride.
What is the SMILES notation for ethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride?
The canonical SMILES for ethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride is C/C=C\N=C(/C)F.CC.
What is the InChIKey of ethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride?
The InChIKey is WGSSFAWJFXHNKR-LMMDHOJISA-N. The full InChI is InChI=1S/C5H8FN.C2H6/c1-3-4-7-5(2)6;1-2/h3-4H,1-2H3;1-2H3/b4-3-,7-5+;.
What are the key properties of ethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride?
ethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride has a molecular weight of 131.19 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-prop-1-enyl]ethanimidoyl fluoride is sourced from PubChem (CID 144648789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).