ethane;4-methyl-3-(trifluoromethyl)morpholine

C8H16F3NO — CID 142533730

IUPACethane;4-methyl-3-(trifluoromethyl)morpholine
SMILESCC.CN1CCOCC1C(F)(F)F
InChIInChI=1S/C6H10F3NO.C2H6/c1-10-2-3-11-4-5(10)6(7,8)9;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyVJAKFMXJMPHRFL-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.91
Rot. Bonds

About ethane;4-methyl-3-(trifluoromethyl)morpholine

ethane;4-methyl-3-(trifluoromethyl)morpholine (PubChem CID 142533730) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is ethane;4-methyl-3-(trifluoromethyl)morpholine.

Molecular Properties

Compound Nameethane;4-methyl-3-(trifluoromethyl)morpholine
PubChem CID142533730
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Nameethane;4-methyl-3-(trifluoromethyl)morpholine
SMILESCC.CN1CCOCC1C(F)(F)F
InChIInChI=1S/C6H10F3NO.C2H6/c1-10-2-3-11-4-5(10)6(7,8)9;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyVJAKFMXJMPHRFL-UHFFFAOYSA-N
XLogP1.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-ium
CID 101731127
4-Sec-butylmorpholine
CID 110911
4-(2,2-Difluoropropyl)morpholine
CID 91007241
2,2,6-Trifluoro-4-methylmorpholine
CID 338517
Morpholine, 4-(1-methylpropyl)-, hydrobromide (1:1)
CID 110910
4-[Difluoro(methoxy)methyl]morpholine
CID 18721521
4-(2-Ethoxy-1,1,2,2-tetrafluoroethyl)morpholine
CID 18725577
2,2,6,6-Tetrafluoro-4-propan-2-ylmorpholine
CID 21732465
2,2,3,3,5,5,6,6-Octafluoro-4-propan-2-ylmorpholine
CID 22172824
2,6-Dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane
CID 54007115
4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)morpholine
CID 54297752
N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680045

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3-(trifluoromethyl)morpholine?
The IUPAC name of ethane;4-methyl-3-(trifluoromethyl)morpholine (CID 142533730) is ethane;4-methyl-3-(trifluoromethyl)morpholine.
What is the SMILES notation for ethane;4-methyl-3-(trifluoromethyl)morpholine?
The canonical SMILES for ethane;4-methyl-3-(trifluoromethyl)morpholine is CC.CN1CCOCC1C(F)(F)F.
What is the InChIKey of ethane;4-methyl-3-(trifluoromethyl)morpholine?
The InChIKey is VJAKFMXJMPHRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.C2H6/c1-10-2-3-11-4-5(10)6(7,8)9;1-2/h5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-3-(trifluoromethyl)morpholine?
ethane;4-methyl-3-(trifluoromethyl)morpholine has a molecular weight of 199.22 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3-(trifluoromethyl)morpholine is sourced from PubChem (CID 142533730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).