tert-butyl N-(3-amino-2,4-difluorophenyl)carbamate

C11H14F2N2O2 — CID 10933706

IUPACtert-butyl N-(3-amino-2,4-difluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(N)c1F
InChIInChI=1S/C11H14F2N2O2/c1-11(2,3)17-10(16)15-7-5-4-6(12)9(14)8(7)13/h4-5H,14H2,1-3H3,(H,15,16)
InChIKeyYLESTKCQLPTXBC-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.89
Rot. Bonds1

About tert-butyl N-(3-amino-2,4-difluorophenyl)carbamate

tert-butyl N-(3-amino-2,4-difluorophenyl)carbamate (PubChem CID 10933706) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2,4-difluorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2,4-difluorophenyl)carbamate
PubChem CID10933706
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Nametert-butyl N-(3-amino-2,4-difluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(N)c1F
InChIInChI=1S/C11H14F2N2O2/c1-11(2,3)17-10(16)15-7-5-4-6(12)9(14)8(7)13/h4-5H,14H2,1-3H3,(H,15,16)
InChIKeyYLESTKCQLPTXBC-UHFFFAOYSA-N
XLogP2.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.89
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 tert-butyl N-(3-amino-2,4-difluorophenyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-2,4-difluorophenyl)carbamate (CID 10933706) is tert-butyl N-(3-amino-2,4-difluorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-2,4-difluorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-2,4-difluorophenyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(F)c(N)c1F.
What is the InChIKey of tert-butyl N-(3-amino-2,4-difluorophenyl)carbamate?
The InChIKey is YLESTKCQLPTXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-11(2,3)17-10(16)15-7-5-4-6(12)9(14)8(7)13/h4-5H,14H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(3-amino-2,4-difluorophenyl)carbamate?
tert-butyl N-(3-amino-2,4-difluorophenyl)carbamate has a molecular weight of 244.24 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2,4-difluorophenyl)carbamate is sourced from PubChem (CID 10933706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).