N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide

C13H18F3NO3 — CID 97325397

IUPACN-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(C1=CCCCO1)N(CC(F)(F)F)[C@H]1CCCOC1
InChIInChI=1S/C13H18F3NO3/c14-13(15,16)9-17(10-4-3-6-19-8-10)12(18)11-5-1-2-7-20-11/h5,10H,1-4,6-9H2/t10-/m0/s1
InChIKeyKLYHCZLHHJLIIC-JTQLQIEISA-N
MW293.28 g/mol
LogP2.25
Rot. Bonds3

About N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide

N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 97325397) has the molecular formula C13H18F3NO3 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID97325397
Molecular FormulaC13H18F3NO3
Molecular Weight293.28 g/mol
Exact Mass293.12
IUPAC NameN-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(C1=CCCCO1)N(CC(F)(F)F)[C@H]1CCCOC1
InChIInChI=1S/C13H18F3NO3/c14-13(15,16)9-17(10-4-3-6-19-8-10)12(18)11-5-1-2-7-20-11/h5,10H,1-4,6-9H2/t10-/m0/s1
InChIKeyKLYHCZLHHJLIIC-JTQLQIEISA-N
XLogP2.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 97325397) is N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide is O=C(C1=CCCCO1)N(CC(F)(F)F)[C@H]1CCCOC1.
What is the InChIKey of N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is KLYHCZLHHJLIIC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18F3NO3/c14-13(15,16)9-17(10-4-3-6-19-8-10)12(18)11-5-1-2-7-20-11/h5,10H,1-4,6-9H2/t10-/m0/s1.
What are the key properties of N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 97325397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).