tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate

C11H12F4N2O2 — CID 155894591

IUPACtert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(C(F)(F)F)c(F)c1
InChIInChI=1S/C11H12F4N2O2/c1-10(2,3)19-9(18)17-6-4-7(12)8(16-5-6)11(13,14)15/h4-5H,1-3H3,(H,17,18)
InChIKeyCOERSVKOVIMAMR-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.59
Rot. Bonds1

About tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate

tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate (PubChem CID 155894591) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate
PubChem CID155894591
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC Nametert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(C(F)(F)F)c(F)c1
InChIInChI=1S/C11H12F4N2O2/c1-10(2,3)19-9(18)17-6-4-7(12)8(16-5-6)11(13,14)15/h4-5H,1-3H3,(H,17,18)
InChIKeyCOERSVKOVIMAMR-UHFFFAOYSA-N
XLogP3.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate
CID 164562642
tert-butyl N-[6-[2-[5-bromo-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]-5-fluoro-3-pyridinyl]carbamate
CID 170782568
tert-butyl N-[5-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane
CID 156715413
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
tert-butyl N-(5-fluoro-6-methoxy-3-pyridinyl)carbamate;5-fluoro-6-methoxypyridin-3-amine;5-fluoro-6-methoxypyridine-3-carboxylic acid
CID 159607764
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774
tert-butyl N-(6-acetyl-5-chloro-3-pyridinyl)carbamate
CID 140703879
tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
CID 57421818
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane
CID 156715354
tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate
CID 131735483
2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 125456654

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate (CID 155894591) is tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cnc(C(F)(F)F)c(F)c1.
What is the InChIKey of tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate?
The InChIKey is COERSVKOVIMAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c1-10(2,3)19-9(18)17-6-4-7(12)8(16-5-6)11(13,14)15/h4-5H,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate?
tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate has a molecular weight of 280.22 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 155894591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).