ethane;N-(2-fluoroprop-2-enylidene)methanimidamide

C6H11FN2 — CID 145177089

IUPACethane;N-(2-fluoroprop-2-enylidene)methanimidamide
SMILESCC.[H]/N=C/N=C/C(=C)F
InChIInChI=1S/C4H5FN2.C2H6/c1-4(5)2-7-3-6;1-2/h2-3,6H,1H2;1-2H3/b6-3+,7-2+;
InChIKeyUVVFDYQDOOQSTM-UTHQHVEBSA-N
MW130.17 g/mol
LogP2.17
Rot. Bonds2

About ethane;N-(2-fluoroprop-2-enylidene)methanimidamide

ethane;N-(2-fluoroprop-2-enylidene)methanimidamide (PubChem CID 145177089) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is ethane;N-(2-fluoroprop-2-enylidene)methanimidamide.

Molecular Properties

Compound Nameethane;N-(2-fluoroprop-2-enylidene)methanimidamide
PubChem CID145177089
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Nameethane;N-(2-fluoroprop-2-enylidene)methanimidamide
SMILESCC.[H]/N=C/N=C/C(=C)F
InChIInChI=1S/C4H5FN2.C2H6/c1-4(5)2-7-3-6;1-2/h2-3,6H,1H2;1-2H3/b6-3+,7-2+;
InChIKeyUVVFDYQDOOQSTM-UTHQHVEBSA-N
XLogP2.17
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-fluoroprop-2-enylidene)methanimidamide?
The IUPAC name of ethane;N-(2-fluoroprop-2-enylidene)methanimidamide (CID 145177089) is ethane;N-(2-fluoroprop-2-enylidene)methanimidamide.
What is the SMILES notation for ethane;N-(2-fluoroprop-2-enylidene)methanimidamide?
The canonical SMILES for ethane;N-(2-fluoroprop-2-enylidene)methanimidamide is CC.[H]/N=C/N=C/C(=C)F.
What is the InChIKey of ethane;N-(2-fluoroprop-2-enylidene)methanimidamide?
The InChIKey is UVVFDYQDOOQSTM-UTHQHVEBSA-N. The full InChI is InChI=1S/C4H5FN2.C2H6/c1-4(5)2-7-3-6;1-2/h2-3,6H,1H2;1-2H3/b6-3+,7-2+;.
What are the key properties of ethane;N-(2-fluoroprop-2-enylidene)methanimidamide?
ethane;N-(2-fluoroprop-2-enylidene)methanimidamide has a molecular weight of 130.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-fluoroprop-2-enylidene)methanimidamide is sourced from PubChem (CID 145177089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).