N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide

C11H17F3N2O2 — CID 96568861

IUPACN-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCN(CCNC(=O)C1=CCCCO1)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-16(8-11(12,13)14)6-5-15-10(17)9-4-2-3-7-18-9/h4H,2-3,5-8H2,1H3,(H,15,17)
InChIKeyWSDZZFGHEBOAPA-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.29
Rot. Bonds5

About N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 96568861) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID96568861
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC NameN-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCN(CCNC(=O)C1=CCCCO1)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-16(8-11(12,13)14)6-5-15-10(17)9-4-2-3-7-18-9/h4H,2-3,5-8H2,1H3,(H,15,17)
InChIKeyWSDZZFGHEBOAPA-UHFFFAOYSA-N
XLogP1.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 86796498
N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 127017391
N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 130708560
ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
CID 142145699
(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
CID 142145700
3,4-dihydro-2H-pyran-6-yl-[(3R)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 120475138
3,4-dihydro-2H-pyran-6-yl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 120475139
N-(2-amino-2-oxoethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 126997822
N-butan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 126999597

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 96568861) is N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide is CN(CCNC(=O)C1=CCCCO1)CC(F)(F)F.
What is the InChIKey of N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is WSDZZFGHEBOAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-16(8-11(12,13)14)6-5-15-10(17)9-4-2-3-7-18-9/h4H,2-3,5-8H2,1H3,(H,15,17).
What are the key properties of N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 96568861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).