2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate

C10H12F3N3O2 — CID 47080089

IUPAC2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate
SMILESCN(C)c1ccc(NC(=O)OCC(F)(F)F)cn1
InChIInChI=1S/C10H12F3N3O2/c1-16(2)8-4-3-7(5-14-8)15-9(17)18-6-10(11,12)13/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyIJBZZESGNLZPTA-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.26
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate

2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate (PubChem CID 47080089) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate
PubChem CID47080089
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate
SMILESCN(C)c1ccc(NC(=O)OCC(F)(F)F)cn1
InChIInChI=1S/C10H12F3N3O2/c1-16(2)8-4-3-7(5-14-8)15-9(17)18-6-10(11,12)13/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyIJBZZESGNLZPTA-UHFFFAOYSA-N
XLogP2.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate (CID 47080089) is 2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate is CN(C)c1ccc(NC(=O)OCC(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate?
The InChIKey is IJBZZESGNLZPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-16(2)8-4-3-7(5-14-8)15-9(17)18-6-10(11,12)13/h3-5H,6H2,1-2H3,(H,15,17).
What are the key properties of 2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate?
2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate has a molecular weight of 263.22 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[6-(dimethylamino)-3-pyridinyl]carbamate is sourced from PubChem (CID 47080089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).