6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide

C17H20F3NO3 — CID 75389888

IUPAC6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCc2cccc(COCC(F)(F)F)c2)CCCO1
InChIInChI=1S/C17H20F3NO3/c1-12-15(6-3-7-24-12)16(22)21-9-13-4-2-5-14(8-13)10-23-11-17(18,19)20/h2,4-5,8H,3,6-7,9-11H2,1H3,(H,21,22)
InChIKeyNDIIFUNBQQBCQI-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.47
Rot. Bonds6

About 6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide

6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 75389888) has the molecular formula C17H20F3NO3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID75389888
Molecular FormulaC17H20F3NO3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCc2cccc(COCC(F)(F)F)c2)CCCO1
InChIInChI=1S/C17H20F3NO3/c1-12-15(6-3-7-24-12)16(22)21-9-13-4-2-5-14(8-13)10-23-11-17(18,19)20/h2,4-5,8H,3,6-7,9-11H2,1H3,(H,21,22)
InChIKeyNDIIFUNBQQBCQI-UHFFFAOYSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of 6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 75389888) is 6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for 6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)NCc2cccc(COCC(F)(F)F)c2)CCCO1.
What is the InChIKey of 6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is NDIIFUNBQQBCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO3/c1-12-15(6-3-7-24-12)16(22)21-9-13-4-2-5-14(8-13)10-23-11-17(18,19)20/h2,4-5,8H,3,6-7,9-11H2,1H3,(H,21,22).
What are the key properties of 6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 75389888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).