prop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate

C11H9F3N2O3 — CID 534194

IUPACprop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESC#CCOC(=O)Nc1cc(C(F)(F)F)cnc1OC
InChIInChI=1S/C11H9F3N2O3/c1-3-4-19-10(17)16-8-5-7(11(12,13)14)6-15-9(8)18-2/h1,5-6H,4H2,2H3,(H,16,17)
InChIKeyIMMRCJOTGYXGFH-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.29
Rot. Bonds3

About prop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate

prop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate (PubChem CID 534194) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is prop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate
PubChem CID534194
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Nameprop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESC#CCOC(=O)Nc1cc(C(F)(F)F)cnc1OC
InChIInChI=1S/C11H9F3N2O3/c1-3-4-19-10(17)16-8-5-7(11(12,13)14)6-15-9(8)18-2/h1,5-6H,4H2,2H3,(H,16,17)
InChIKeyIMMRCJOTGYXGFH-UHFFFAOYSA-N
XLogP2.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The IUPAC name of prop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate (CID 534194) is prop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for prop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The canonical SMILES for prop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate is C#CCOC(=O)Nc1cc(C(F)(F)F)cnc1OC.
What is the InChIKey of prop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The InChIKey is IMMRCJOTGYXGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c1-3-4-19-10(17)16-8-5-7(11(12,13)14)6-15-9(8)18-2/h1,5-6H,4H2,2H3,(H,16,17).
What are the key properties of prop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate?
prop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate has a molecular weight of 274.20 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 534194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).