2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate

C9H8F2N2O5 — CID 81312067

IUPAC2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate
SMILESO=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])OCCO
InChIInChI=1S/C9H8F2N2O5/c10-5-3-6(11)8(7(4-5)13(16)17)12-9(15)18-2-1-14/h3-4,14H,1-2H2,(H,12,15)
InChIKeyFTGZHXOKPFEUNJ-UHFFFAOYSA-N
MW262.17 g/mol
LogP1.41
Rot. Bonds4

About 2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate

2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate (PubChem CID 81312067) has the molecular formula C9H8F2N2O5 and a molecular weight of 262.17 g/mol. Its IUPAC name is 2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate
PubChem CID81312067
Molecular FormulaC9H8F2N2O5
Molecular Weight262.17 g/mol
Exact Mass262.04
IUPAC Name2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate
SMILESO=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])OCCO
InChIInChI=1S/C9H8F2N2O5/c10-5-3-6(11)8(7(4-5)13(16)17)12-9(15)18-2-1-14/h3-4,14H,1-2H2,(H,12,15)
InChIKeyFTGZHXOKPFEUNJ-UHFFFAOYSA-N
XLogP1.41
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 51.41
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'}

Analyze 2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 81310994
2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate
CID 79345647
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309738
2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate
CID 79349431
2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 83298314
N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide
CID 81310098
2-bromo-N-(2,4-difluoro-6-nitrophenyl)-3-methylbutanamide
CID 81309901
2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate
CID 79345948
3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide
CID 81310802
4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81310187
N-(2,4-difluoro-6-nitrophenyl)-4-(propan-2-ylamino)butanamide
CID 81307714

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate (CID 81312067) is 2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate is O=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])OCCO.
What is the InChIKey of 2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate?
The InChIKey is FTGZHXOKPFEUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O5/c10-5-3-6(11)8(7(4-5)13(16)17)12-9(15)18-2-1-14/h3-4,14H,1-2H2,(H,12,15).
What are the key properties of 2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate?
2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate has a molecular weight of 262.17 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate is sourced from PubChem (CID 81312067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).