tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate

C11H15FN2O3 — CID 135394494

IUPACtert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c(F)ccc(N)c1O
InChIInChI=1S/C11H15FN2O3/c1-11(2,3)17-10(16)14-8-6(12)4-5-7(13)9(8)15/h4-5,15H,13H2,1-3H3,(H,14,16)
InChIKeyVGTNFLLVRPCJHC-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.46
Rot. Bonds1

About tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate

tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate (PubChem CID 135394494) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate
PubChem CID135394494
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Nametert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c(F)ccc(N)c1O
InChIInChI=1S/C11H15FN2O3/c1-11(2,3)17-10(16)14-8-6(12)4-5-7(13)9(8)15/h4-5,15H,13H2,1-3H3,(H,14,16)
InChIKeyVGTNFLLVRPCJHC-UHFFFAOYSA-N
XLogP2.46
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408
tert-butyl N-(3,6-difluoro-2-formylphenyl)carbamate
CID 118996744
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
CID 135132369
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 118902581
tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate
CID 11242993
[3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]boronic acid
CID 142785528
tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)carbamate
CID 22404771
tert-butyl N-(2,6-difluoro-4-formylphenyl)carbamate
CID 84805526
tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate
CID 138750883

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate (CID 135394494) is tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate is CC(C)(C)OC(=O)Nc1c(F)ccc(N)c1O.
What is the InChIKey of tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate?
The InChIKey is VGTNFLLVRPCJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-11(2,3)17-10(16)14-8-6(12)4-5-7(13)9(8)15/h4-5,15H,13H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate?
tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate has a molecular weight of 242.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate is sourced from PubChem (CID 135394494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).