N-(1-amino-2-fluorobutylidene)acetamide

C6H11FN2O — CID 122468831

IUPACN-(1-amino-2-fluorobutylidene)acetamide
SMILESCCC(F)/C(N)=N/C(C)=O
InChIInChI=1S/C6H11FN2O/c1-3-5(7)6(8)9-4(2)10/h5H,3H2,1-2H3,(H2,8,9,10)
InChIKeyOMVVDSQJYMYEBJ-UHFFFAOYSA-N
MW146.16 g/mol
LogP0.64
Rot. Bonds2

About N-(1-amino-2-fluorobutylidene)acetamide

N-(1-amino-2-fluorobutylidene)acetamide (PubChem CID 122468831) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is N-(1-amino-2-fluorobutylidene)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-fluorobutylidene)acetamide
PubChem CID122468831
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC NameN-(1-amino-2-fluorobutylidene)acetamide
SMILESCCC(F)/C(N)=N/C(C)=O
InChIInChI=1S/C6H11FN2O/c1-3-5(7)6(8)9-4(2)10/h5H,3H2,1-2H3,(H2,8,9,10)
InChIKeyOMVVDSQJYMYEBJ-UHFFFAOYSA-N
XLogP0.64
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 50.64
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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Related Compounds

N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide
CID 142867627
N-(1-aminoethylidene)acetamide
CID 18722856
N-(1-aminoethylidene)butanamide
CID 21720730
N-(1-aminopropylidene)acetamide
CID 55289163
2-(1-Aminobutylideneamino)acetamide
CID 63173813
N-(1-aminopropylidene)propanamide
CID 87475532
N-(1-aminoethylidene)propanamide
CID 87476740
N-(1-aminobutylidene)butanamide
CID 87477413
4-Amino-4-methyliminobutanamide
CID 87596187
N-(1-amino-2-methylpropylidene)acetamide
CID 90690507
N-(1-amino-3-methylbutylidene)acetamide
CID 123457650

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-fluorobutylidene)acetamide?
The IUPAC name of N-(1-amino-2-fluorobutylidene)acetamide (CID 122468831) is N-(1-amino-2-fluorobutylidene)acetamide.
What is the SMILES notation for N-(1-amino-2-fluorobutylidene)acetamide?
The canonical SMILES for N-(1-amino-2-fluorobutylidene)acetamide is CCC(F)/C(N)=N/C(C)=O.
What is the InChIKey of N-(1-amino-2-fluorobutylidene)acetamide?
The InChIKey is OMVVDSQJYMYEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O/c1-3-5(7)6(8)9-4(2)10/h5H,3H2,1-2H3,(H2,8,9,10).
What are the key properties of N-(1-amino-2-fluorobutylidene)acetamide?
N-(1-amino-2-fluorobutylidene)acetamide has a molecular weight of 146.16 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-fluorobutylidene)acetamide is sourced from PubChem (CID 122468831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).