2-(4-amino-2-fluorophenyl)ethyl carbamate

C9H11FN2O2 — CID 175196169

IUPAC2-(4-amino-2-fluorophenyl)ethyl carbamate
SMILESNC(=O)OCCc1ccc(N)cc1F
InChIInChI=1S/C9H11FN2O2/c10-8-5-7(11)2-1-6(8)3-4-14-9(12)13/h1-2,5H,3-4,11H2,(H2,12,13)
InChIKeyNPBNRQMSDIWQBZ-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.05
Rot. Bonds3

About 2-(4-amino-2-fluorophenyl)ethyl carbamate

2-(4-amino-2-fluorophenyl)ethyl carbamate (PubChem CID 175196169) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)ethyl carbamate.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)ethyl carbamate
PubChem CID175196169
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2-(4-amino-2-fluorophenyl)ethyl carbamate
SMILESNC(=O)OCCc1ccc(N)cc1F
InChIInChI=1S/C9H11FN2O2/c10-8-5-7(11)2-1-6(8)3-4-14-9(12)13/h1-2,5H,3-4,11H2,(H2,12,13)
InChIKeyNPBNRQMSDIWQBZ-UHFFFAOYSA-N
XLogP1.05
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)ethyl carbamate?
The IUPAC name of 2-(4-amino-2-fluorophenyl)ethyl carbamate (CID 175196169) is 2-(4-amino-2-fluorophenyl)ethyl carbamate.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)ethyl carbamate?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)ethyl carbamate is NC(=O)OCCc1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)ethyl carbamate?
The InChIKey is NPBNRQMSDIWQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-8-5-7(11)2-1-6(8)3-4-14-9(12)13/h1-2,5H,3-4,11H2,(H2,12,13).
What are the key properties of 2-(4-amino-2-fluorophenyl)ethyl carbamate?
2-(4-amino-2-fluorophenyl)ethyl carbamate has a molecular weight of 198.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)ethyl carbamate is sourced from PubChem (CID 175196169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).