N-(fluoromethyl)-N-iodobutanamide

C5H9FINO — CID 118574425

IUPACN-(fluoromethyl)-N-iodobutanamide
SMILESCCCC(=O)N(I)CF
InChIInChI=1S/C5H9FINO/c1-2-3-5(9)8(7)4-6/h2-4H2,1H3
InChIKeyOWQMOPWHFGUELT-UHFFFAOYSA-N
MW245.03 g/mol
LogP1.89
Rot. Bonds3

About N-(fluoromethyl)-N-iodobutanamide

N-(fluoromethyl)-N-iodobutanamide (PubChem CID 118574425) has the molecular formula C5H9FINO and a molecular weight of 245.03 g/mol. Its IUPAC name is N-(fluoromethyl)-N-iodobutanamide.

Molecular Properties

Compound NameN-(fluoromethyl)-N-iodobutanamide
PubChem CID118574425
Molecular FormulaC5H9FINO
Molecular Weight245.03 g/mol
Exact Mass244.97
IUPAC NameN-(fluoromethyl)-N-iodobutanamide
SMILESCCCC(=O)N(I)CF
InChIInChI=1S/C5H9FINO/c1-2-3-5(9)8(7)4-6/h2-4H2,1H3
InChIKeyOWQMOPWHFGUELT-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.03
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-N-iodobutanamide?
The IUPAC name of N-(fluoromethyl)-N-iodobutanamide (CID 118574425) is N-(fluoromethyl)-N-iodobutanamide.
What is the SMILES notation for N-(fluoromethyl)-N-iodobutanamide?
The canonical SMILES for N-(fluoromethyl)-N-iodobutanamide is CCCC(=O)N(I)CF.
What is the InChIKey of N-(fluoromethyl)-N-iodobutanamide?
The InChIKey is OWQMOPWHFGUELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FINO/c1-2-3-5(9)8(7)4-6/h2-4H2,1H3.
What are the key properties of N-(fluoromethyl)-N-iodobutanamide?
N-(fluoromethyl)-N-iodobutanamide has a molecular weight of 245.03 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-N-iodobutanamide is sourced from PubChem (CID 118574425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).