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

C16H17F9N2O2 — CID 175738913

IUPAC5-(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
SMILESFC(C(F)(F)F)C(F)(F)C1=CC=C2OC(C(F)(F)C(F)N3CCOCC3)CC2N1
InChIInChI=1S/C16H17F9N2O2/c17-12(16(23,24)25)14(19,20)10-2-1-9-8(26-10)7-11(29-9)15(21,22)13(18)27-3-5-28-6-4-27/h1-2,8,11-13,26H,3-7H2
InChIKeyVCMOFRWHWCFTMY-UHFFFAOYSA-N
MW440.31 g/mol
LogP3.31
Rot. Bonds5

About 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

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 (PubChem CID 175738913) has the molecular formula C16H17F9N2O2 and a molecular weight of 440.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID175738913
Molecular FormulaC16H17F9N2O2
Molecular Weight440.31 g/mol
Exact Mass440.11
IUPAC Name5-(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
SMILESFC(C(F)(F)F)C(F)(F)C1=CC=C2OC(C(F)(F)C(F)N3CCOCC3)CC2N1
InChIInChI=1S/C16H17F9N2O2/c17-12(16(23,24)25)14(19,20)10-2-1-9-8(26-10)7-11(29-9)15(21,22)13(18)27-3-5-28-6-4-27/h1-2,8,11-13,26H,3-7H2
InChIKeyVCMOFRWHWCFTMY-UHFFFAOYSA-N
XLogP3.31
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine;hydrofluoride
CID 161145766
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
4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)morpholine
CID 15531441
1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine
CID 130427264
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-[(2S)-1,1,1,3,3-pentafluoropropan-2-yl]morpholine
CID 131093423
4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine
CID 130418403
[3,5-dichloro-4-[morpholin-4-yl-(2-oxopyrrolidin-3-yl)methyl]phenyl] trifluoromethanesulfonate
CID 87198342
4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine
CID 90180655
1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]pyrrolidine
CID 137452160
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-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine
CID 171288800

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(C(F)(F)F)C(F)(F)C1=CC=C2OC(C(F)(F)C(F)N3CCOCC3)CC2N1.
What is the InChIKey of 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?
The InChIKey is VCMOFRWHWCFTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F9N2O2/c17-12(16(23,24)25)14(19,20)10-2-1-9-8(26-10)7-11(29-9)15(21,22)13(18)27-3-5-28-6-4-27/h1-2,8,11-13,26H,3-7H2.
What are the key properties of 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?
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 has a molecular weight of 440.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175738913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).