(5-amino-2,4-difluorophenyl) formate

C7H5F2NO2 — CID 175301321

IUPAC(5-amino-2,4-difluorophenyl) formate
SMILESNc1cc(OC=O)c(F)cc1F
InChIInChI=1S/C7H5F2NO2/c8-4-1-5(9)7(12-3-11)2-6(4)10/h1-3H,10H2
InChIKeyAEPHJNLNEQZSIQ-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.08
Rot. Bonds2

About (5-amino-2,4-difluorophenyl) formate

(5-amino-2,4-difluorophenyl) formate (PubChem CID 175301321) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is (5-amino-2,4-difluorophenyl) formate.

Molecular Properties

Compound Name(5-amino-2,4-difluorophenyl) formate
PubChem CID175301321
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name(5-amino-2,4-difluorophenyl) formate
SMILESNc1cc(OC=O)c(F)cc1F
InChIInChI=1S/C7H5F2NO2/c8-4-1-5(9)7(12-3-11)2-6(4)10/h1-3H,10H2
InChIKeyAEPHJNLNEQZSIQ-UHFFFAOYSA-N
XLogP1.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-difluorophenyl) formate?
The IUPAC name of (5-amino-2,4-difluorophenyl) formate (CID 175301321) is (5-amino-2,4-difluorophenyl) formate.
What is the SMILES notation for (5-amino-2,4-difluorophenyl) formate?
The canonical SMILES for (5-amino-2,4-difluorophenyl) formate is Nc1cc(OC=O)c(F)cc1F.
What is the InChIKey of (5-amino-2,4-difluorophenyl) formate?
The InChIKey is AEPHJNLNEQZSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-4-1-5(9)7(12-3-11)2-6(4)10/h1-3H,10H2.
What are the key properties of (5-amino-2,4-difluorophenyl) formate?
(5-amino-2,4-difluorophenyl) formate has a molecular weight of 173.12 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-difluorophenyl) formate is sourced from PubChem (CID 175301321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).