N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide

C10H14F6N2O2 — CID 23238705

IUPACN-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide
SMILESCOC(NC(=O)N1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O2/c1-20-8(9(11,12)13,10(14,15)16)17-7(19)18-5-3-2-4-6-18/h2-6H2,1H3,(H,17,19)
InChIKeyHQIWMBNWMANSCH-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.65
Rot. Bonds2

About N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide

N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide (PubChem CID 23238705) has the molecular formula C10H14F6N2O2 and a molecular weight of 308.22 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide
PubChem CID23238705
Molecular FormulaC10H14F6N2O2
Molecular Weight308.22 g/mol
Exact Mass308.10
IUPAC NameN-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide
SMILESCOC(NC(=O)N1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O2/c1-20-8(9(11,12)13,10(14,15)16)17-7(19)18-5-3-2-4-6-18/h2-6H2,1H3,(H,17,19)
InChIKeyHQIWMBNWMANSCH-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide (CID 23238705) is N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide is COC(NC(=O)N1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide?
The InChIKey is HQIWMBNWMANSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O2/c1-20-8(9(11,12)13,10(14,15)16)17-7(19)18-5-3-2-4-6-18/h2-6H2,1H3,(H,17,19).
What are the key properties of N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide?
N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide has a molecular weight of 308.22 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 23238705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).