2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine

C9H13F6NO — CID 150129717

IUPAC2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine
SMILESCC1OCCNC1(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C9H13F6NO/c1-6-7(4-8(10,11)12,5-9(13,14)15)16-2-3-17-6/h6,16H,2-5H2,1H3
InChIKeyVLBUHIYIYMSPNM-UHFFFAOYSA-N
MW265.20 g/mol
LogP2.64
Rot. Bonds2

About 2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine

2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine (PubChem CID 150129717) has the molecular formula C9H13F6NO and a molecular weight of 265.20 g/mol. Its IUPAC name is 2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine.

Molecular Properties

Compound Name2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine
PubChem CID150129717
Molecular FormulaC9H13F6NO
Molecular Weight265.20 g/mol
Exact Mass265.09
IUPAC Name2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine
SMILESCC1OCCNC1(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C9H13F6NO/c1-6-7(4-8(10,11)12,5-9(13,14)15)16-2-3-17-6/h6,16H,2-5H2,1H3
InChIKeyVLBUHIYIYMSPNM-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-2-(trifluoromethyl)morpholine
CID 63901101
5,5-Diethyl-2-(trifluoromethyl)morpholine
CID 63901507
5-Ethyl-5-methyl-2-(trifluoromethyl)morpholine
CID 64549462
2,2-Diethyl-6-(trifluoromethyl)morpholine
CID 65101999
5-Propan-2-yl-2-(trifluoromethyl)morpholine
CID 79246933
N-ethyl-2-methyl-3-(trifluoromethyl)oxolan-3-amine
CID 82718035
3-(difluoromethyl)-N-ethyl-2-methyloxolan-3-amine
CID 82718200
2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine
CID 82793238
N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine
CID 83044775
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-amine
CID 83045723
N-tert-butyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine
CID 102723265
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]-2-methylbutan-2-amine
CID 102723301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine?
The IUPAC name of 2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine (CID 150129717) is 2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine.
What is the SMILES notation for 2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine?
The canonical SMILES for 2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine is CC1OCCNC1(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine?
The InChIKey is VLBUHIYIYMSPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO/c1-6-7(4-8(10,11)12,5-9(13,14)15)16-2-3-17-6/h6,16H,2-5H2,1H3.
What are the key properties of 2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine?
2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine has a molecular weight of 265.20 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,3-bis(2,2,2-trifluoroethyl)morpholine is sourced from PubChem (CID 150129717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).