6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide

C8H13F3N2O3 — CID 123773182

IUPAC6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1NC(C(F)F)C(O)C(O)C1F
InChIInChI=1S/C8H13F3N2O3/c1-12-8(16)3-2(9)5(14)6(15)4(13-3)7(10)11/h2-7,13-15H,1H3,(H,12,16)
InChIKeyHRXZVTWVIUKLAK-UHFFFAOYSA-N
MW242.20 g/mol
LogP-1.60
Rot. Bonds2

About 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide

6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide (PubChem CID 123773182) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide
PubChem CID123773182
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1NC(C(F)F)C(O)C(O)C1F
InChIInChI=1S/C8H13F3N2O3/c1-12-8(16)3-2(9)5(14)6(15)4(13-3)7(10)11/h2-7,13-15H,1H3,(H,12,16)
InChIKeyHRXZVTWVIUKLAK-UHFFFAOYSA-N
XLogP-1.60
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide (CID 123773182) is 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide is CNC(=O)C1NC(C(F)F)C(O)C(O)C1F.
What is the InChIKey of 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide?
The InChIKey is HRXZVTWVIUKLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-12-8(16)3-2(9)5(14)6(15)4(13-3)7(10)11/h2-7,13-15H,1H3,(H,12,16).
What are the key properties of 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide?
6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide has a molecular weight of 242.20 g/mol, XLogP of -1.60, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-fluoro-4,5-dihydroxy-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 123773182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).