2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide

C6H11FN2O3 — CID 166119564

IUPAC2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide
SMILESCNC(=O)C(F)C(=O)NCCO
InChIInChI=1S/C6H11FN2O3/c1-8-5(11)4(7)6(12)9-2-3-10/h4,10H,2-3H2,1H3,(H,8,11)(H,9,12)
InChIKeyCYJBPULEXYRWTA-UHFFFAOYSA-N
MW178.16 g/mol
LogP-1.82
Rot. Bonds4

About 2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide

2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide (PubChem CID 166119564) has the molecular formula C6H11FN2O3 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide
PubChem CID166119564
Molecular FormulaC6H11FN2O3
Molecular Weight178.16 g/mol
Exact Mass178.08
IUPAC Name2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide
SMILESCNC(=O)C(F)C(=O)NCCO
InChIInChI=1S/C6H11FN2O3/c1-8-5(11)4(7)6(12)9-2-3-10/h4,10H,2-3H2,1H3,(H,8,11)(H,9,12)
InChIKeyCYJBPULEXYRWTA-UHFFFAOYSA-N
XLogP-1.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide?
The IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide (CID 166119564) is 2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide is CNC(=O)C(F)C(=O)NCCO.
What is the InChIKey of 2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide?
The InChIKey is CYJBPULEXYRWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O3/c1-8-5(11)4(7)6(12)9-2-3-10/h4,10H,2-3H2,1H3,(H,8,11)(H,9,12).
What are the key properties of 2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide?
2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide has a molecular weight of 178.16 g/mol, XLogP of -1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxyethyl)-N'-methylpropanediamide is sourced from PubChem (CID 166119564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).