2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate

C9H9FN2O5 — CID 79345647

IUPAC2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)OCCO
InChIInChI=1S/C9H9FN2O5/c10-7-2-1-6(5-8(7)12(15)16)11-9(14)17-4-3-13/h1-2,5,13H,3-4H2,(H,11,14)
InChIKeyAZWVSGCEWVNKKX-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.27
Rot. Bonds4

About 2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate

2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate (PubChem CID 79345647) has the molecular formula C9H9FN2O5 and a molecular weight of 244.18 g/mol. Its IUPAC name is 2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate
PubChem CID79345647
Molecular FormulaC9H9FN2O5
Molecular Weight244.18 g/mol
Exact Mass244.05
IUPAC Name2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)OCCO
InChIInChI=1S/C9H9FN2O5/c10-7-2-1-6(5-8(7)12(15)16)11-9(14)17-4-3-13/h1-2,5,13H,3-4H2,(H,11,14)
InChIKeyAZWVSGCEWVNKKX-UHFFFAOYSA-N
XLogP1.27
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate
CID 79345948
propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
CID 107812713
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate
CID 81312067
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776180
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
4-fluoro-3-nitroaniline;N-(4-fluoro-3-nitrophenyl)acetamide
CID 158096795
naphthalen-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
CID 4307047
N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 43422996
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate (CID 79345647) is 2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate?
The InChIKey is AZWVSGCEWVNKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O5/c10-7-2-1-6(5-8(7)12(15)16)11-9(14)17-4-3-13/h1-2,5,13H,3-4H2,(H,11,14).
What are the key properties of 2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate?
2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate has a molecular weight of 244.18 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate is sourced from PubChem (CID 79345647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).