2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide

C9H19FN2O2 — CID 155052429

IUPAC2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide
SMILESCCC(CF)C(=O)N(CO)CCNC
InChIInChI=1S/C9H19FN2O2/c1-3-8(6-10)9(14)12(7-13)5-4-11-2/h8,11,13H,3-7H2,1-2H3
InChIKeyZCZHBCGXXUXAHP-UHFFFAOYSA-N
MW206.26 g/mol
LogP-0.02
Rot. Bonds7

About 2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide

2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide (PubChem CID 155052429) has the molecular formula C9H19FN2O2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide.

Molecular Properties

Compound Name2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide
PubChem CID155052429
Molecular FormulaC9H19FN2O2
Molecular Weight206.26 g/mol
Exact Mass206.14
IUPAC Name2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide
SMILESCCC(CF)C(=O)N(CO)CCNC
InChIInChI=1S/C9H19FN2O2/c1-3-8(6-10)9(14)12(7-13)5-4-11-2/h8,11,13H,3-7H2,1-2H3
InChIKeyZCZHBCGXXUXAHP-UHFFFAOYSA-N
XLogP-0.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide?
The IUPAC name of 2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide (CID 155052429) is 2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide.
What is the SMILES notation for 2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide?
The canonical SMILES for 2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide is CCC(CF)C(=O)N(CO)CCNC.
What is the InChIKey of 2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide?
The InChIKey is ZCZHBCGXXUXAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2/c1-3-8(6-10)9(14)12(7-13)5-4-11-2/h8,11,13H,3-7H2,1-2H3.
What are the key properties of 2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide?
2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide has a molecular weight of 206.26 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-N-(hydroxymethyl)-N-[2-(methylamino)ethyl]butanamide is sourced from PubChem (CID 155052429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).