N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride

C5H10FNO3 — CID 123334431

IUPACN-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride
SMILESO=C(F)NCCOCCO
InChIInChI=1S/C5H10FNO3/c6-5(9)7-1-3-10-4-2-8/h8H,1-4H2,(H,7,9)
InChIKeyGZVIFFZHYPUWML-UHFFFAOYSA-N
MW151.14 g/mol
LogP-0.33
Rot. Bonds5

About N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride

N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride (PubChem CID 123334431) has the molecular formula C5H10FNO3 and a molecular weight of 151.14 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride
PubChem CID123334431
Molecular FormulaC5H10FNO3
Molecular Weight151.14 g/mol
Exact Mass151.06
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride
SMILESO=C(F)NCCOCCO
InChIInChI=1S/C5H10FNO3/c6-5(9)7-1-3-10-4-2-8/h8H,1-4H2,(H,7,9)
InChIKeyGZVIFFZHYPUWML-UHFFFAOYSA-N
XLogP-0.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride (CID 123334431) is N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride is O=C(F)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride?
The InChIKey is GZVIFFZHYPUWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO3/c6-5(9)7-1-3-10-4-2-8/h8H,1-4H2,(H,7,9).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride?
N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride has a molecular weight of 151.14 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride is sourced from PubChem (CID 123334431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).