tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate

C15H20FNO3 — CID 11242993

IUPACtert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate
SMILESCC(C)C(=O)c1cccc(F)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H20FNO3/c1-9(2)13(18)10-7-6-8-11(16)12(10)17-14(19)20-15(3,4)5/h6-9H,1-5H3,(H,17,19)
InChIKeyZBLNEPOSJWSKHS-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.01
Rot. Bonds3

About tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate

tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate (PubChem CID 11242993) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate
PubChem CID11242993
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nametert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate
SMILESCC(C)C(=O)c1cccc(F)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H20FNO3/c1-9(2)13(18)10-7-6-8-11(16)12(10)17-14(19)20-15(3,4)5/h6-9H,1-5H3,(H,17,19)
InChIKeyZBLNEPOSJWSKHS-UHFFFAOYSA-N
XLogP4.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408
[3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]boronic acid
CID 142785528
methyl 3-[3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]propanoate
CID 175150154
tert-butyl N-(3,6-difluoro-2-formylphenyl)carbamate
CID 118996744
methyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 69368154
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)benzoic acid
CID 15033884
[3-(fluoromethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 2-methylpropanoate
CID 89312277
4-[2-fluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 170156912
tert-butyl N-[(2R)-1-(3-fluoro-2-methylphenyl)-1-oxopentan-2-yl]carbamate
CID 156785102
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate
CID 135394494

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate (CID 11242993) is tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate is CC(C)C(=O)c1cccc(F)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate?
The InChIKey is ZBLNEPOSJWSKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-9(2)13(18)10-7-6-8-11(16)12(10)17-14(19)20-15(3,4)5/h6-9H,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate?
tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate has a molecular weight of 281.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate is sourced from PubChem (CID 11242993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).