2-azidoethyl N-(3-fluorophenyl)carbamate

C9H9FN4O2 — CID 59667440

IUPAC2-azidoethyl N-(3-fluorophenyl)carbamate
SMILES[N-]=[N+]=NCCOC(=O)Nc1cccc(F)c1
InChIInChI=1S/C9H9FN4O2/c10-7-2-1-3-8(6-7)13-9(15)16-5-4-12-14-11/h1-3,6H,4-5H2,(H,13,15)
InChIKeySRFMOGUSJDKRFS-UHFFFAOYSA-N
MW224.19 g/mol
LogP2.68
Rot. Bonds4

About 2-azidoethyl N-(3-fluorophenyl)carbamate

2-azidoethyl N-(3-fluorophenyl)carbamate (PubChem CID 59667440) has the molecular formula C9H9FN4O2 and a molecular weight of 224.19 g/mol. Its IUPAC name is 2-azidoethyl N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name2-azidoethyl N-(3-fluorophenyl)carbamate
PubChem CID59667440
Molecular FormulaC9H9FN4O2
Molecular Weight224.19 g/mol
Exact Mass224.07
IUPAC Name2-azidoethyl N-(3-fluorophenyl)carbamate
SMILES[N-]=[N+]=NCCOC(=O)Nc1cccc(F)c1
InChIInChI=1S/C9H9FN4O2/c10-7-2-1-3-8(6-7)13-9(15)16-5-4-12-14-11/h1-3,6H,4-5H2,(H,13,15)
InChIKeySRFMOGUSJDKRFS-UHFFFAOYSA-N
XLogP2.68
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

sodium;2-azidoethyl N-(3-fluorophenyl)carbamate;2-bromoethanol;2-bromoethyl N-(3-fluorophenyl)carbamate;1-fluoro-3-isocyanatobenzene;azide
CID 160521397
2-(methylamino)ethyl N-(3-fluorophenyl)carbamate
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3-chloropropyl N-(3-fluorophenyl)carbamate
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2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
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2-azidoethyl N-[3-(2-azidoethoxycarbonylamino)-4-methylphenyl]carbamate
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1-(4-azidobutyl)-3-(3-fluorophenyl)urea
CID 106386930
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate
CID 47077792
pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 4524913
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
(4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate
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(1-chloropropylideneamino) N-(3-fluorophenyl)carbamate
CID 3826549

Frequently Asked Questions

What is the IUPAC name of 2-azidoethyl N-(3-fluorophenyl)carbamate?
The IUPAC name of 2-azidoethyl N-(3-fluorophenyl)carbamate (CID 59667440) is 2-azidoethyl N-(3-fluorophenyl)carbamate.
What is the SMILES notation for 2-azidoethyl N-(3-fluorophenyl)carbamate?
The canonical SMILES for 2-azidoethyl N-(3-fluorophenyl)carbamate is [N-]=[N+]=NCCOC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-azidoethyl N-(3-fluorophenyl)carbamate?
The InChIKey is SRFMOGUSJDKRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2/c10-7-2-1-3-8(6-7)13-9(15)16-5-4-12-14-11/h1-3,6H,4-5H2,(H,13,15).
What are the key properties of 2-azidoethyl N-(3-fluorophenyl)carbamate?
2-azidoethyl N-(3-fluorophenyl)carbamate has a molecular weight of 224.19 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidoethyl N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 59667440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).