N-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide

C9H17FN2O3 — CID 177087566

IUPACN-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide
SMILESCC(C)(C)NC(=O)C(F)C(=O)NCCO
InChIInChI=1S/C9H17FN2O3/c1-9(2,3)12-8(15)6(10)7(14)11-4-5-13/h6,13H,4-5H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyROZUVPGFCLRVCJ-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.65
Rot. Bonds4

About N-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide

N-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide (PubChem CID 177087566) has the molecular formula C9H17FN2O3 and a molecular weight of 220.24 g/mol. Its IUPAC name is N-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide.

Molecular Properties

Compound NameN-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide
PubChem CID177087566
Molecular FormulaC9H17FN2O3
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC NameN-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide
SMILESCC(C)(C)NC(=O)C(F)C(=O)NCCO
InChIInChI=1S/C9H17FN2O3/c1-9(2,3)12-8(15)6(10)7(14)11-4-5-13/h6,13H,4-5H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyROZUVPGFCLRVCJ-UHFFFAOYSA-N
XLogP-0.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.65
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 N-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide?
The IUPAC name of N-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide (CID 177087566) is N-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide.
What is the SMILES notation for N-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide?
The canonical SMILES for N-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide is CC(C)(C)NC(=O)C(F)C(=O)NCCO.
What is the InChIKey of N-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide?
The InChIKey is ROZUVPGFCLRVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O3/c1-9(2,3)12-8(15)6(10)7(14)11-4-5-13/h6,13H,4-5H2,1-3H3,(H,11,14)(H,12,15).
What are the key properties of N-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide?
N-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide has a molecular weight of 220.24 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-fluoro-N'-(2-hydroxyethyl)propanediamide is sourced from PubChem (CID 177087566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).