2-(4,4,4-trifluorobutoxymethyl)morpholine

C9H16F3NO2 — CID 82788623

IUPAC2-(4,4,4-trifluorobutoxymethyl)morpholine
SMILESFC(F)(F)CCCOCC1CNCCO1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)2-1-4-14-7-8-6-13-3-5-15-8/h8,13H,1-7H2
InChIKeyLIALDJCISXSDKG-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.33
Rot. Bonds5

About 2-(4,4,4-trifluorobutoxymethyl)morpholine

2-(4,4,4-trifluorobutoxymethyl)morpholine (PubChem CID 82788623) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutoxymethyl)morpholine.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutoxymethyl)morpholine
PubChem CID82788623
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-(4,4,4-trifluorobutoxymethyl)morpholine
SMILESFC(F)(F)CCCOCC1CNCCO1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)2-1-4-14-7-8-6-13-3-5-15-8/h8,13H,1-7H2
InChIKeyLIALDJCISXSDKG-UHFFFAOYSA-N
XLogP1.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,2-trifluoroethoxymethyl)morpholine
CID 64532651
(2R)-2-(cyclopropylmethoxymethyl)morpholine
CID 95369053
2-(2-propoxyethoxymethyl)morpholine
CID 64534869
(2S)-2-(methoxymethyl)morpholine;(2R)-2-(methoxymethyl)morpholine
CID 163652511
(2S)-2-(methoxymethyl)morpholine
CID 10103206
(2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane
CID 98041590
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
CID 170603335
2-(methoxymethyl)morpholine;hydrochloride
CID 19777233
2-(cyclobutyloxymethyl)morpholine
CID 64533662
N-ethyl-3-(morpholin-2-ylmethoxy)propanamide
CID 114468828
2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 115514545
(2R)-2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 102820223

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutoxymethyl)morpholine?
The IUPAC name of 2-(4,4,4-trifluorobutoxymethyl)morpholine (CID 82788623) is 2-(4,4,4-trifluorobutoxymethyl)morpholine.
What is the SMILES notation for 2-(4,4,4-trifluorobutoxymethyl)morpholine?
The canonical SMILES for 2-(4,4,4-trifluorobutoxymethyl)morpholine is FC(F)(F)CCCOCC1CNCCO1.
What is the InChIKey of 2-(4,4,4-trifluorobutoxymethyl)morpholine?
The InChIKey is LIALDJCISXSDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)2-1-4-14-7-8-6-13-3-5-15-8/h8,13H,1-7H2.
What are the key properties of 2-(4,4,4-trifluorobutoxymethyl)morpholine?
2-(4,4,4-trifluorobutoxymethyl)morpholine has a molecular weight of 227.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutoxymethyl)morpholine is sourced from PubChem (CID 82788623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).