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

C8H11F2NO2 — CID 130616494

IUPACN-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide
SMILESO=C(NCC(F)F)C1=CCOCC1
InChIInChI=1S/C8H11F2NO2/c9-7(10)5-11-8(12)6-1-3-13-4-2-6/h1,7H,2-5H2,(H,11,12)
InChIKeyXFMDNECJLSHOML-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.71
Rot. Bonds3

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

N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide (PubChem CID 130616494) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide
PubChem CID130616494
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC NameN-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide
SMILESO=C(NCC(F)F)C1=CCOCC1
InChIInChI=1S/C8H11F2NO2/c9-7(10)5-11-8(12)6-1-3-13-4-2-6/h1,7H,2-5H2,(H,11,12)
InChIKeyXFMDNECJLSHOML-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3,6-dihydro-2H-pyran-4-carboxamide
CID 131175874
3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 126793064
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide
CID 127017012
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-difluoroacetamide
CID 130668383
N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide
CID 131041896
ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 67531102
N-butyl-2-(3,6-dihydro-2H-pyran-5-yl)acetamide
CID 10954508
N-ethyl-3,6-dihydro-2H-pyran-4-carboxamide
CID 126997661
N-(cyanomethyl)-3,6-dihydro-2H-pyran-4-carboxamide
CID 130614540
N-but-3-ynyl-3,6-dihydro-2H-pyran-4-carboxamide
CID 130616455
N-(1-cyanoethyl)-3,6-dihydro-2H-pyran-4-carboxamide
CID 130621359
N-butan-2-yl-3,6-dihydro-2H-pyran-4-carboxamide
CID 130626412

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide (CID 130616494) is N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide is O=C(NCC(F)F)C1=CCOCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide?
The InChIKey is XFMDNECJLSHOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-7(10)5-11-8(12)6-1-3-13-4-2-6/h1,7H,2-5H2,(H,11,12).
What are the key properties of N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide?
N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide has a molecular weight of 191.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide is sourced from PubChem (CID 130616494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).