N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide

C13H15F2NO4 — CID 154740010

IUPACN-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)NC2CCC(F)(F)CC2)cc1=O
InChIInChI=1S/C13H15F2NO4/c1-19-11-7-20-10(6-9(11)17)12(18)16-8-2-4-13(14,15)5-3-8/h6-8H,2-5H2,1H3,(H,16,18)
InChIKeyLHTRDBHDFLYUOM-UHFFFAOYSA-N
MW287.26 g/mol
LogP1.96
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide

N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide (PubChem CID 154740010) has the molecular formula C13H15F2NO4 and a molecular weight of 287.26 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide
PubChem CID154740010
Molecular FormulaC13H15F2NO4
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC NameN-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)NC2CCC(F)(F)CC2)cc1=O
InChIInChI=1S/C13H15F2NO4/c1-19-11-7-20-10(6-9(11)17)12(18)16-8-2-4-13(14,15)5-3-8/h6-8H,2-5H2,1H3,(H,16,18)
InChIKeyLHTRDBHDFLYUOM-UHFFFAOYSA-N
XLogP1.96
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide (CID 154740010) is N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide is COc1coc(C(=O)NC2CCC(F)(F)CC2)cc1=O.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide?
The InChIKey is LHTRDBHDFLYUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4/c1-19-11-7-20-10(6-9(11)17)12(18)16-8-2-4-13(14,15)5-3-8/h6-8H,2-5H2,1H3,(H,16,18).
What are the key properties of N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide?
N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide has a molecular weight of 287.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-5-methoxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 154740010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).