N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite

C17H31F5N2O2 — CID 144600535

IUPACN-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite
SMILESCC(C)OF.CC(CCN1CCCC(C(F)(F)F)C1)CC(C)C(=O)NF
InChIInChI=1S/C14H24F4N2O.C3H7FO/c1-10(8-11(2)13(21)19-18)5-7-20-6-3-4-12(9-20)14(15,16)17;1-3(2)5-4/h10-12H,3-9H2,1-2H3,(H,19,21);3H,1-2H3
InChIKeyDFZNFGKJCADHBT-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.61
Rot. Bonds7

About N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite

N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite (PubChem CID 144600535) has the molecular formula C17H31F5N2O2 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite.

Molecular Properties

Compound NameN-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite
PubChem CID144600535
Molecular FormulaC17H31F5N2O2
Molecular Weight390.44 g/mol
Exact Mass390.23
IUPAC NameN-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite
SMILESCC(C)OF.CC(CCN1CCCC(C(F)(F)F)C1)CC(C)C(=O)NF
InChIInChI=1S/C14H24F4N2O.C3H7FO/c1-10(8-11(2)13(21)19-18)5-7-20-6-3-4-12(9-20)14(15,16)17;1-3(2)5-4/h10-12H,3-9H2,1-2H3,(H,19,21);3H,1-2H3
InChIKeyDFZNFGKJCADHBT-UHFFFAOYSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 153197476
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 81080501
N-(propan-2-ylcarbamoyl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27098406
(3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 118374749
N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine
CID 62573860
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 66337320
N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 100836620
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 26598322
1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine
CID 81045404
1-(2-methylpentyl)-3-(trifluoromethyl)piperidine
CID 155261854

Frequently Asked Questions

What is the IUPAC name of N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite?
The IUPAC name of N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite (CID 144600535) is N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite.
What is the SMILES notation for N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite?
The canonical SMILES for N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite is CC(C)OF.CC(CCN1CCCC(C(F)(F)F)C1)CC(C)C(=O)NF.
What is the InChIKey of N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite?
The InChIKey is DFZNFGKJCADHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F4N2O.C3H7FO/c1-10(8-11(2)13(21)19-18)5-7-20-6-3-4-12(9-20)14(15,16)17;1-3(2)5-4/h10-12H,3-9H2,1-2H3,(H,19,21);3H,1-2H3.
What are the key properties of N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite?
N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite has a molecular weight of 390.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite is sourced from PubChem (CID 144600535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).