N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide

C11H13F3N2O2 — CID 71922665

IUPACN-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESN#CCCN(CC(F)(F)F)C(=O)C1=CCCCO1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8-16(6-3-5-15)10(17)9-4-1-2-7-18-9/h4H,1-3,6-8H2
InChIKeySWNPEYMQIRWKFY-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.99
Rot. Bonds4

About N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide

N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 71922665) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID71922665
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESN#CCCN(CC(F)(F)F)C(=O)C1=CCCCO1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8-16(6-3-5-15)10(17)9-4-1-2-7-18-9/h4H,1-3,6-8H2
InChIKeySWNPEYMQIRWKFY-UHFFFAOYSA-N
XLogP1.99
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 71922665) is N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide is N#CCCN(CC(F)(F)F)C(=O)C1=CCCCO1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is SWNPEYMQIRWKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)8-16(6-3-5-15)10(17)9-4-1-2-7-18-9/h4H,1-3,6-8H2.
What are the key properties of N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 71922665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).