tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate

C12H14F3NO2 — CID 138750883

IUPACtert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate
SMILESCc1c(F)cc(F)c(NC(=O)OC(C)(C)C)c1F
InChIInChI=1S/C12H14F3NO2/c1-6-7(13)5-8(14)10(9(6)15)16-11(17)18-12(2,3)4/h5H,1-4H3,(H,16,17)
InChIKeyIONWQYPEEHYMEX-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.76
Rot. Bonds1

About tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate

tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate (PubChem CID 138750883) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate
PubChem CID138750883
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Nametert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate
SMILESCc1c(F)cc(F)c(NC(=O)OC(C)(C)C)c1F
InChIInChI=1S/C12H14F3NO2/c1-6-7(13)5-8(14)10(9(6)15)16-11(17)18-12(2,3)4/h5H,1-4H3,(H,16,17)
InChIKeyIONWQYPEEHYMEX-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2,3,5-trifluoro-4-methylphenyl)carbamate
CID 170026832
tert-butyl N-(2-fluoro-4-formyl-3,6-dimethylphenyl)carbamate
CID 84808075
tert-butyl N-(2,6-difluoro-4-formylphenyl)carbamate
CID 84805526
tert-butyl N-(3,6-difluoro-2-formylphenyl)carbamate
CID 118996744
tert-butyl N-(5-bromo-2,3-difluoro-4-methylphenyl)carbamate
CID 169077590
tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
CID 10729437
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
tert-butyl N-(5-fluoro-3-formyl-2-hydroxy-4-methylphenyl)carbamate
CID 84808638
tert-butyl N-[2-(2,3,5,6-tetrafluoroanilino)ethyl]carbamate
CID 107644133
tert-butyl N-[2,6-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]carbamate
CID 123402023
tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate
CID 131118705
tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate (CID 138750883) is tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate is Cc1c(F)cc(F)c(NC(=O)OC(C)(C)C)c1F.
What is the InChIKey of tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate?
The InChIKey is IONWQYPEEHYMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-6-7(13)5-8(14)10(9(6)15)16-11(17)18-12(2,3)4/h5H,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate?
tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate has a molecular weight of 261.24 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate is sourced from PubChem (CID 138750883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).