3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane

C15H24F7NO — CID 162565607

IUPAC3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane
SMILESCN1CCC(C(F)(F)F)OC1C(CCCCF)CCCC(F)(F)F
InChIInChI=1S/C15H24F7NO/c1-23-10-7-12(15(20,21)22)24-13(23)11(5-2-3-9-16)6-4-8-14(17,18)19/h11-13H,2-10H2,1H3
InChIKeyOXLUTMLQJLVHGS-UHFFFAOYSA-N
MW367.35 g/mol
LogP5.08
Rot. Bonds8

About 3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane

3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane (PubChem CID 162565607) has the molecular formula C15H24F7NO and a molecular weight of 367.35 g/mol. Its IUPAC name is 3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane.

Molecular Properties

Compound Name3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane
PubChem CID162565607
Molecular FormulaC15H24F7NO
Molecular Weight367.35 g/mol
Exact Mass367.17
IUPAC Name3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane
SMILESCN1CCC(C(F)(F)F)OC1C(CCCCF)CCCC(F)(F)F
InChIInChI=1S/C15H24F7NO/c1-23-10-7-12(15(20,21)22)24-13(23)11(5-2-3-9-16)6-4-8-14(17,18)19/h11-13H,2-10H2,1H3
InChIKeyOXLUTMLQJLVHGS-UHFFFAOYSA-N
XLogP5.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.35
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1,2,2-Trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-4-(trifluoromethyl)piperidine
CID 130418388
1-[1,2,2-Trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-3,5-bis(trifluoromethyl)piperidine
CID 130418393
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3,5-bis(trifluoromethyl)piperidine
CID 130418398
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-(trifluoromethyl)piperidine
CID 130418400
1-[1,2,2-Trifluoro-3-(1-fluoropropan-2-yloxy)butyl]-4-(trifluoromethyl)piperidine
CID 130418416
1-[(1R)-1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-3,5-bis(trifluoromethyl)piperidine
CID 130418418
1-[1,2,3,3,3-Pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-4-(trifluoromethyl)piperidine
CID 130427244
1-[1,1,1,3,3-Pentafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-yl]-3,5-bis(trifluoromethyl)piperidine
CID 130427247
1-[1,2,3,3,3-Pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine
CID 130427254
1-[1,2,3,3,3-Pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine
CID 130427267
1-[1,1,1,3,3-Pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]-3,5-bis(trifluoromethyl)piperidine
CID 130427268
1-[1,2,2-Trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine
CID 130427269

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane?
The IUPAC name of 3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane (CID 162565607) is 3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane.
What is the SMILES notation for 3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane?
The canonical SMILES for 3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane is CN1CCC(C(F)(F)F)OC1C(CCCCF)CCCC(F)(F)F.
What is the InChIKey of 3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane?
The InChIKey is OXLUTMLQJLVHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F7NO/c1-23-10-7-12(15(20,21)22)24-13(23)11(5-2-3-9-16)6-4-8-14(17,18)19/h11-13H,2-10H2,1H3.
What are the key properties of 3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane?
3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane has a molecular weight of 367.35 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,1,1,9-tetrafluorononan-5-yl)-6-(trifluoromethyl)-1,3-oxazinane is sourced from PubChem (CID 162565607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).