tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate

C12H15F2NO3 — CID 67813213

IUPACtert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate
SMILESCOc1cc(F)c(F)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C12H15F2NO3/c1-12(2,3)18-11(16)15-9-6-7(17-4)5-8(13)10(9)14/h5-6H,1-4H3,(H,15,16)
InChIKeyYCVQVXIPVJMXEJ-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.32
Rot. Bonds2

About tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate

tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate (PubChem CID 67813213) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate
PubChem CID67813213
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Nametert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate
SMILESCOc1cc(F)c(F)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C12H15F2NO3/c1-12(2,3)18-11(16)15-9-6-7(17-4)5-8(13)10(9)14/h5-6H,1-4H3,(H,15,16)
InChIKeyYCVQVXIPVJMXEJ-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate
CID 117113919
methyl 3,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 177331943
tert-butyl N-(2,3,5-trifluoro-4-methylphenyl)carbamate
CID 170026832
tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate
CID 117116565
tert-butyl N-[5-(2-aminooxyethyl)-2,3-difluorophenyl]carbamate
CID 117111440
tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate
CID 133080787
2,5-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 122204937
tert-butyl N-(5-bromo-2,3-difluoro-4-methylphenyl)carbamate
CID 169077590
tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate
CID 84812678
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate
CID 131118705

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate (CID 67813213) is tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate is COc1cc(F)c(F)c(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate?
The InChIKey is YCVQVXIPVJMXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-12(2,3)18-11(16)15-9-6-7(17-4)5-8(13)10(9)14/h5-6H,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate?
tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate has a molecular weight of 259.25 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate is sourced from PubChem (CID 67813213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).