2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride

C7H13ClF3NO — CID 126838153

IUPAC2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride
SMILESCCC1(C(F)(F)F)CNCCO1.Cl
InChIInChI=1S/C7H12F3NO.ClH/c1-2-6(7(8,9)10)5-11-3-4-12-6;/h11H,2-5H2,1H3;1H
InChIKeyARBTTXVITRKBEI-UHFFFAOYSA-N
MW219.63 g/mol
LogP1.74
Rot. Bonds1

About 2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride

2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride (PubChem CID 126838153) has the molecular formula C7H13ClF3NO and a molecular weight of 219.63 g/mol. Its IUPAC name is 2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride
PubChem CID126838153
Molecular FormulaC7H13ClF3NO
Molecular Weight219.63 g/mol
Exact Mass219.06
IUPAC Name2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride
SMILESCCC1(C(F)(F)F)CNCCO1.Cl
InChIInChI=1S/C7H12F3NO.ClH/c1-2-6(7(8,9)10)5-11-3-4-12-6;/h11H,2-5H2,1H3;1H
InChIKeyARBTTXVITRKBEI-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-2-methylmorpholine
CID 19357449
2-(Trifluoromethyl)morpholine hydrochloride
CID 53534844
2-Methyl-6-(trifluoromethyl)morpholine
CID 63901303
2,2-Dimethyl-6-(trifluoromethyl)morpholine
CID 65102380
(2S)-2-(trifluoromethyl)morpholine hydrochloride
CID 68285203
(2R)-2-(trifluoromethyl)morpholine hydrochloride
CID 68285224
2-(Difluoromethyl)morpholine
CID 68846218
2-(Difluoromethyl)morpholine hydrochloride
CID 118280684
2-Methyl-2-(trifluoromethyl)morpholine hydrochloride
CID 118610583
2-(2,2,2-Trifluoroethyl)morpholine hydrochloride
CID 126780502
(2R)-2-(difluoromethyl)morpholine hydrochloride
CID 140765927
(2S)-2-(difluoromethyl)morpholine hydrochloride
CID 140765944

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride?
The IUPAC name of 2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride (CID 126838153) is 2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride.
What is the SMILES notation for 2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride?
The canonical SMILES for 2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride is CCC1(C(F)(F)F)CNCCO1.Cl.
What is the InChIKey of 2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride?
The InChIKey is ARBTTXVITRKBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.ClH/c1-2-6(7(8,9)10)5-11-3-4-12-6;/h11H,2-5H2,1H3;1H.
What are the key properties of 2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride?
2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride has a molecular weight of 219.63 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(trifluoromethyl)morpholine;hydrochloride is sourced from PubChem (CID 126838153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).