ethane;4-ethyl-2-(trifluoromethyl)morpholine

C9H18F3NO — CID 178155697

IUPACethane;4-ethyl-2-(trifluoromethyl)morpholine
SMILESCC.CCN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO.C2H6/c1-2-11-3-4-12-6(5-11)7(8,9)10;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyBEOPZKZLUVIHCE-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.30
Rot. Bonds1

About ethane;4-ethyl-2-(trifluoromethyl)morpholine

ethane;4-ethyl-2-(trifluoromethyl)morpholine (PubChem CID 178155697) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is ethane;4-ethyl-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Nameethane;4-ethyl-2-(trifluoromethyl)morpholine
PubChem CID178155697
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Nameethane;4-ethyl-2-(trifluoromethyl)morpholine
SMILESCC.CCN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO.C2H6/c1-2-11-3-4-12-6(5-11)7(8,9)10;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyBEOPZKZLUVIHCE-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-ethyl-2-(trifluoromethyl)morpholine
CID 121359378
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
4-[(5-butylthiophen-2-yl)methyl]-2-(trifluoromethyl)morpholine
CID 56871312
2,4-diethylmorpholine
CID 58988021
[1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105247461
N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103931823
2-ethoxy-4-ethylmorpholine tetrafluoroborate
CID 174977906
N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488358
ethane;4-ethyl-2-prop-1-en-2-ylmorpholine
CID 177135934
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
4-ethyl-2-propylmorpholine
CID 127673597
(2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95502324

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-2-(trifluoromethyl)morpholine?
The IUPAC name of ethane;4-ethyl-2-(trifluoromethyl)morpholine (CID 178155697) is ethane;4-ethyl-2-(trifluoromethyl)morpholine.
What is the SMILES notation for ethane;4-ethyl-2-(trifluoromethyl)morpholine?
The canonical SMILES for ethane;4-ethyl-2-(trifluoromethyl)morpholine is CC.CCN1CCOC(C(F)(F)F)C1.
What is the InChIKey of ethane;4-ethyl-2-(trifluoromethyl)morpholine?
The InChIKey is BEOPZKZLUVIHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.C2H6/c1-2-11-3-4-12-6(5-11)7(8,9)10;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-2-(trifluoromethyl)morpholine?
ethane;4-ethyl-2-(trifluoromethyl)morpholine has a molecular weight of 213.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 178155697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).