4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine

C10H10F11NO — CID 130218799

IUPAC4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine
SMILESCC(F)(C(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H10F11NO/c1-7(12,10(19,20)21)6(11)22-2-4(8(13,14)15)23-5(3-22)9(16,17)18/h4-6H,2-3H2,1H3
InChIKeyHMPUTYOKSMDZJZ-UHFFFAOYSA-N
MW369.17 g/mol
LogP3.77
Rot. Bonds2

About 4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine

4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine (PubChem CID 130218799) has the molecular formula C10H10F11NO and a molecular weight of 369.17 g/mol. Its IUPAC name is 4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine
PubChem CID130218799
Molecular FormulaC10H10F11NO
Molecular Weight369.17 g/mol
Exact Mass369.06
IUPAC Name4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine
SMILESCC(F)(C(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H10F11NO/c1-7(12,10(19,20)21)6(11)22-2-4(8(13,14)15)23-5(3-22)9(16,17)18/h4-6H,2-3H2,1H3
InChIKeyHMPUTYOKSMDZJZ-UHFFFAOYSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine
CID 162606326
4-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]-2,6-bis(trifluoromethyl)morpholine
CID 130427257
4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine
CID 130427251
4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine
CID 134384142
(5S)-2-methyl-5-(trifluoromethyl)-1,3-oxazolidine-3-sulfonamide
CID 167049068
6-methyl-4-propan-2-yl-2-(trifluoromethyl)-1,4-oxazepane
CID 162558732
4-[2-[5-(1,2-difluoro-1-morpholin-4-ylpropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropyl]morpholine;4-[1,2,3,3,3-pentafluoro-2-(oxolan-2-yl)propyl]morpholine;trihydrofluoride
CID 159579864
2-methyl-4-(trifluoromethyl)oxetane
CID 162568381
2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine
CID 160565386
1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine
CID 130427250
1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine;hydrofluoride
CID 161145766
1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine
CID 130427264

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine (CID 130218799) is 4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine is CC(F)(C(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is HMPUTYOKSMDZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F11NO/c1-7(12,10(19,20)21)6(11)22-2-4(8(13,14)15)23-5(3-22)9(16,17)18/h4-6H,2-3H2,1H3.
What are the key properties of 4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine?
4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 369.17 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 130218799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).