4-propan-2-ylmorpholine;1,1,1-trifluoroethane

C9H18F3NO — CID 170587275

IUPAC4-propan-2-ylmorpholine;1,1,1-trifluoroethane
SMILESCC(C)N1CCOCC1.CC(F)(F)F
InChIInChI=1S/C7H15NO.C2H3F3/c1-7(2)8-3-5-9-6-4-8;1-2(3,4)5/h7H,3-6H2,1-2H3;1H3
InChIKeyOXQKAEVMQGAMEC-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.30
Rot. Bonds1

About 4-propan-2-ylmorpholine;1,1,1-trifluoroethane

4-propan-2-ylmorpholine;1,1,1-trifluoroethane (PubChem CID 170587275) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-propan-2-ylmorpholine;1,1,1-trifluoroethane.

Molecular Properties

Compound Name4-propan-2-ylmorpholine;1,1,1-trifluoroethane
PubChem CID170587275
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name4-propan-2-ylmorpholine;1,1,1-trifluoroethane
SMILESCC(C)N1CCOCC1.CC(F)(F)F
InChIInChI=1S/C7H15NO.C2H3F3/c1-7(2)8-3-5-9-6-4-8;1-2(3,4)5/h7H,3-6H2,1-2H3;1H3
InChIKeyOXQKAEVMQGAMEC-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

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 4-propan-2-ylmorpholine;1,1,1-trifluoroethane?
The IUPAC name of 4-propan-2-ylmorpholine;1,1,1-trifluoroethane (CID 170587275) is 4-propan-2-ylmorpholine;1,1,1-trifluoroethane.
What is the SMILES notation for 4-propan-2-ylmorpholine;1,1,1-trifluoroethane?
The canonical SMILES for 4-propan-2-ylmorpholine;1,1,1-trifluoroethane is CC(C)N1CCOCC1.CC(F)(F)F.
What is the InChIKey of 4-propan-2-ylmorpholine;1,1,1-trifluoroethane?
The InChIKey is OXQKAEVMQGAMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H3F3/c1-7(2)8-3-5-9-6-4-8;1-2(3,4)5/h7H,3-6H2,1-2H3;1H3.
What are the key properties of 4-propan-2-ylmorpholine;1,1,1-trifluoroethane?
4-propan-2-ylmorpholine;1,1,1-trifluoroethane 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 4-propan-2-ylmorpholine;1,1,1-trifluoroethane is sourced from PubChem (CID 170587275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).