4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine

C10H16F3NO2 — CID 54594391

IUPAC4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine
SMILESFC(F)(F)C(C1CCCO1)N1CCOCC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)9(8-2-1-5-16-8)14-3-6-15-7-4-14/h8-9H,1-7H2
InChIKeyMXAACSHXINZEIJ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.43
Rot. Bonds2

About 4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine

4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine (PubChem CID 54594391) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine
PubChem CID54594391
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine
SMILESFC(F)(F)C(C1CCCO1)N1CCOCC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)9(8-2-1-5-16-8)14-3-6-15-7-4-14/h8-9H,1-7H2
InChIKeyMXAACSHXINZEIJ-UHFFFAOYSA-N
XLogP1.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)morpholine
CID 15531441
1-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]piperazine
CID 171288800
4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine
CID 90180655
1-[1-(oxolan-2-yl)ethyl]piperazine
CID 60862286
4-[(2S)-1,1,1,3,3-pentafluoropropan-2-yl]morpholine
CID 131093423
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
2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine
CID 142607542
[(1S)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl] trifluoromethanesulfonate
CID 98124524
ethane;4-methyloxepane;4-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane
CID 172563860
2-(3,3-dimethylbutan-2-yl)oxolane
CID 58394782
2-(oxolan-2-yl)-2-thiomorpholin-4-ylethanamine
CID 82836499
1-(1-cyclopropyl-2,2,2-trifluoroethyl)piperazine
CID 83688036

Frequently Asked Questions

What is the IUPAC name of 4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine?
The IUPAC name of 4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine (CID 54594391) is 4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine?
The canonical SMILES for 4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine is FC(F)(F)C(C1CCCO1)N1CCOCC1.
What is the InChIKey of 4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine?
The InChIKey is MXAACSHXINZEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)9(8-2-1-5-16-8)14-3-6-15-7-4-14/h8-9H,1-7H2.
What are the key properties of 4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine?
4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine has a molecular weight of 239.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]morpholine is sourced from PubChem (CID 54594391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).