tert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate

C7H14FNO3 — CID 154965295

IUPACtert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(F)CCO
InChIInChI=1S/C7H14FNO3/c1-7(2,3)12-6(11)9(8)4-5-10/h10H,4-5H2,1-3H3
InChIKeySKXFWEHTISWUQM-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.10
Rot. Bonds2

About tert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate

tert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate (PubChem CID 154965295) has the molecular formula C7H14FNO3 and a molecular weight of 179.19 g/mol. Its IUPAC name is tert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate
PubChem CID154965295
Molecular FormulaC7H14FNO3
Molecular Weight179.19 g/mol
Exact Mass179.10
IUPAC Nametert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(F)CCO
InChIInChI=1S/C7H14FNO3/c1-7(2,3)12-6(11)9(8)4-5-10/h10H,4-5H2,1-3H3
InChIKeySKXFWEHTISWUQM-UHFFFAOYSA-N
XLogP1.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate (CID 154965295) is tert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate is CC(C)(C)OC(=O)N(F)CCO.
What is the InChIKey of tert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate?
The InChIKey is SKXFWEHTISWUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO3/c1-7(2,3)12-6(11)9(8)4-5-10/h10H,4-5H2,1-3H3.
What are the key properties of tert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate?
tert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate has a molecular weight of 179.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-fluoro-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 154965295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).