tert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate

C17H17F3N2O2 — CID 22493314

IUPACtert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1-c1ncccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c1-16(2,3)24-15(23)22-13-9-5-4-7-11(13)14-12(17(18,19)20)8-6-10-21-14/h4-10H,1-3H3,(H,22,23)
InChIKeyQTIICQCZKZXUTM-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.11
Rot. Bonds2

About tert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate

tert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate (PubChem CID 22493314) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate
PubChem CID22493314
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Nametert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1-c1ncccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c1-16(2,3)24-15(23)22-13-9-5-4-7-11(13)14-12(17(18,19)20)8-6-10-21-14/h4-10H,1-3H3,(H,22,23)
InChIKeyQTIICQCZKZXUTM-UHFFFAOYSA-N
XLogP5.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate (CID 22493314) is tert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1-c1ncccc1C(F)(F)F.
What is the InChIKey of tert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate?
The InChIKey is QTIICQCZKZXUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-16(2,3)24-15(23)22-13-9-5-4-7-11(13)14-12(17(18,19)20)8-6-10-21-14/h4-10H,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate?
tert-butyl N-[2-[3-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate has a molecular weight of 338.33 g/mol, XLogP of 5.11, 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-(trifluoromethyl)-2-pyridinyl]phenyl]carbamate is sourced from PubChem (CID 22493314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).