tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate

C12H12F4N2O3 — CID 58895114

IUPACtert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c(F)c(F)c(F)c(F)c1C(N)=O
InChIInChI=1S/C12H12F4N2O3/c1-12(2,3)21-11(20)18-9-4(10(17)19)5(13)6(14)7(15)8(9)16/h1-3H3,(H2,17,19)(H,18,20)
InChIKeyTYQPDAFSVOANFU-UHFFFAOYSA-N
MW308.23 g/mol
LogP2.69
Rot. Bonds2

About tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate

tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate (PubChem CID 58895114) has the molecular formula C12H12F4N2O3 and a molecular weight of 308.23 g/mol. Its IUPAC name is tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate
PubChem CID58895114
Molecular FormulaC12H12F4N2O3
Molecular Weight308.23 g/mol
Exact Mass308.08
IUPAC Nametert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c(F)c(F)c(F)c(F)c1C(N)=O
InChIInChI=1S/C12H12F4N2O3/c1-12(2,3)21-11(20)18-9-4(10(17)19)5(13)6(14)7(15)8(9)16/h1-3H3,(H2,17,19)(H,18,20)
InChIKeyTYQPDAFSVOANFU-UHFFFAOYSA-N
XLogP2.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate
CID 138750883
tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408
tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate
CID 168856657
tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate
CID 135394494
tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate
CID 117274287
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-(2-fluoro-4-formyl-3,6-dimethylphenyl)carbamate
CID 84808075
tert-butyl N-(2-methylpyrazolo[1,5-a]pyridin-3-yl)carbamate
CID 118344882
tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
CID 135361965
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
4-[3,5-diiodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxy-2,3,5,6-tetrafluorobenzoic acid
CID 153468007

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate?
The IUPAC name of tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate (CID 58895114) is tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate is CC(C)(C)OC(=O)Nc1c(F)c(F)c(F)c(F)c1C(N)=O.
What is the InChIKey of tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate?
The InChIKey is TYQPDAFSVOANFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O3/c1-12(2,3)21-11(20)18-9-4(10(17)19)5(13)6(14)7(15)8(9)16/h1-3H3,(H2,17,19)(H,18,20).
What are the key properties of tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate?
tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate has a molecular weight of 308.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate is sourced from PubChem (CID 58895114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).