4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine

C14H18F9NO3 — CID 145366216

IUPAC4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine
SMILESCC1(C(F)(F)C(F)C(F)(F)F)COCC(C(F)(F)C(F)N2CCOCC2)O1
InChIInChI=1S/C14H18F9NO3/c1-11(13(19,20)9(15)14(21,22)23)7-26-6-8(27-11)12(17,18)10(16)24-2-4-25-5-3-24/h8-10H,2-7H2,1H3
InChIKeySKUGYDNUJXHFBW-UHFFFAOYSA-N
MW419.28 g/mol
LogP2.96
Rot. Bonds5

About 4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine

4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine (PubChem CID 145366216) has the molecular formula C14H18F9NO3 and a molecular weight of 419.28 g/mol. Its IUPAC name is 4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine
PubChem CID145366216
Molecular FormulaC14H18F9NO3
Molecular Weight419.28 g/mol
Exact Mass419.11
IUPAC Name4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine
SMILESCC1(C(F)(F)C(F)C(F)(F)F)COCC(C(F)(F)C(F)N2CCOCC2)O1
InChIInChI=1S/C14H18F9NO3/c1-11(13(19,20)9(15)14(21,22)23)7-26-6-8(27-11)12(17,18)10(16)24-2-4-25-5-3-24/h8-10H,2-7H2,1H3
InChIKeySKUGYDNUJXHFBW-UHFFFAOYSA-N
XLogP2.96
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxepan-2-yl]ethyl]azepane
CID 145366235
1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxepan-2-yl]propyl]azepane
CID 145366218
5-(1,1,2,3,3,3-hexafluoropropyl)-2-(1,1,2-trifluoro-2-morpholin-4-ylethyl)-2,3,3a,4-tetrahydrofuro[3,2-b]pyridine
CID 175738913
4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine
CID 130418403
1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine
CID 130427264
4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine
CID 90180655
4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)morpholine
CID 15531441
1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine
CID 137452158
4-[(2S)-1,1,1,3,3-pentafluoropropan-2-yl]morpholine
CID 131093423
1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]pyrrolidine
CID 137452160
fluoromethane;4-propan-2-ylmorpholine
CID 177187231
1-fluoro-N,N-dimethyl-1-morpholin-4-ylmethanamine
CID 25158604

Frequently Asked Questions

What is the IUPAC name of 4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine?
The IUPAC name of 4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine (CID 145366216) is 4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine is CC1(C(F)(F)C(F)C(F)(F)F)COCC(C(F)(F)C(F)N2CCOCC2)O1.
What is the InChIKey of 4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine?
The InChIKey is SKUGYDNUJXHFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F9NO3/c1-11(13(19,20)9(15)14(21,22)23)7-26-6-8(27-11)12(17,18)10(16)24-2-4-25-5-3-24/h8-10H,2-7H2,1H3.
What are the key properties of 4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine?
4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine has a molecular weight of 419.28 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)-6-methyl-1,4-dioxan-2-yl]ethyl]morpholine is sourced from PubChem (CID 145366216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).