2-fluoro-3-iminopropanamide

C3H5FN2O — CID 123604570

IUPAC2-fluoro-3-iminopropanamide
SMILES[H]/N=C/C(F)C(N)=O
InChIInChI=1S/C3H5FN2O/c4-2(1-5)3(6)7/h1-2,5H,(H2,6,7)/b5-1+
InChIKeyKCJHQHBIIUIRMI-ORCRQEGFSA-N
MW104.08 g/mol
LogP-0.54
Rot. Bonds2

About 2-fluoro-3-iminopropanamide

2-fluoro-3-iminopropanamide (PubChem CID 123604570) has the molecular formula C3H5FN2O and a molecular weight of 104.08 g/mol. Its IUPAC name is 2-fluoro-3-iminopropanamide.

Molecular Properties

Compound Name2-fluoro-3-iminopropanamide
PubChem CID123604570
Molecular FormulaC3H5FN2O
Molecular Weight104.08 g/mol
Exact Mass104.04
IUPAC Name2-fluoro-3-iminopropanamide
SMILES[H]/N=C/C(F)C(N)=O
InChIInChI=1S/C3H5FN2O/c4-2(1-5)3(6)7/h1-2,5H,(H2,6,7)/b5-1+
InChIKeyKCJHQHBIIUIRMI-ORCRQEGFSA-N
XLogP-0.54
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-3-iminopropanamide
CID 123742041
2,2-difluoroacetamide
CID 2782321
4-imino-2-methylbutanamide
CID 174442854
3-amino-2,4-diiminobutanoic acid
CID 22352981
(Z,5S)-5-amino-1,6-difluoro-7-iminohept-3-en-2-one
CID 89416443
(2S)-2-fluoropropanamide
CID 129374964
4-imino-3-iodobut-1-en-2-amine
CID 129077114
(2E)-2-ethylidene-4-methanimidoylhexanamide
CID 167093885
ethyl 2-methanimidoylbutanoate
CID 90815324
4-methanimidoyl-5,5-dimethylhex-1-en-3-one
CID 123444398
methyl (2S)-2-methanimidoylbutanoate
CID 174333241
butan-1-imine;prop-2-enamide
CID 175251221

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-iminopropanamide?
The IUPAC name of 2-fluoro-3-iminopropanamide (CID 123604570) is 2-fluoro-3-iminopropanamide.
What is the SMILES notation for 2-fluoro-3-iminopropanamide?
The canonical SMILES for 2-fluoro-3-iminopropanamide is [H]/N=C/C(F)C(N)=O.
What is the InChIKey of 2-fluoro-3-iminopropanamide?
The InChIKey is KCJHQHBIIUIRMI-ORCRQEGFSA-N. The full InChI is InChI=1S/C3H5FN2O/c4-2(1-5)3(6)7/h1-2,5H,(H2,6,7)/b5-1+.
What are the key properties of 2-fluoro-3-iminopropanamide?
2-fluoro-3-iminopropanamide has a molecular weight of 104.08 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iminopropanamide is sourced from PubChem (CID 123604570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).