N-(4-amino-5-fluoropent-2-enyl)butanamide

C9H17FN2O — CID 54168315

IUPACN-(4-amino-5-fluoropent-2-enyl)butanamide
SMILESCCCC(=O)NCC=CC(N)CF
InChIInChI=1S/C9H17FN2O/c1-2-4-9(13)12-6-3-5-8(11)7-10/h3,5,8H,2,4,6-7,11H2,1H3,(H,12,13)
InChIKeyOTFSUUJGCPXOQC-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.76
Rot. Bonds6

About N-(4-amino-5-fluoropent-2-enyl)butanamide

N-(4-amino-5-fluoropent-2-enyl)butanamide (PubChem CID 54168315) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is N-(4-amino-5-fluoropent-2-enyl)butanamide.

Molecular Properties

Compound NameN-(4-amino-5-fluoropent-2-enyl)butanamide
PubChem CID54168315
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC NameN-(4-amino-5-fluoropent-2-enyl)butanamide
SMILESCCCC(=O)NCC=CC(N)CF
InChIInChI=1S/C9H17FN2O/c1-2-4-9(13)12-6-3-5-8(11)7-10/h3,5,8H,2,4,6-7,11H2,1H3,(H,12,13)
InChIKeyOTFSUUJGCPXOQC-UHFFFAOYSA-N
XLogP0.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-fluoropent-2-enyl)butanamide?
The IUPAC name of N-(4-amino-5-fluoropent-2-enyl)butanamide (CID 54168315) is N-(4-amino-5-fluoropent-2-enyl)butanamide.
What is the SMILES notation for N-(4-amino-5-fluoropent-2-enyl)butanamide?
The canonical SMILES for N-(4-amino-5-fluoropent-2-enyl)butanamide is CCCC(=O)NCC=CC(N)CF.
What is the InChIKey of N-(4-amino-5-fluoropent-2-enyl)butanamide?
The InChIKey is OTFSUUJGCPXOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-2-4-9(13)12-6-3-5-8(11)7-10/h3,5,8H,2,4,6-7,11H2,1H3,(H,12,13).
What are the key properties of N-(4-amino-5-fluoropent-2-enyl)butanamide?
N-(4-amino-5-fluoropent-2-enyl)butanamide has a molecular weight of 188.25 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-fluoropent-2-enyl)butanamide is sourced from PubChem (CID 54168315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).