1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one

C10H13F6NO2 — CID 19577291

IUPAC1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one
SMILESCCC(C(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO2/c1-2-8(9(11,12)13,10(14,15)16)7(18)17-3-5-19-6-4-17/h2-6H2,1H3
InChIKeySDNWXRNEYAERFY-UHFFFAOYSA-N
MW293.21 g/mol
LogP2.37
Rot. Bonds2

About 1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one

1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one (PubChem CID 19577291) has the molecular formula C10H13F6NO2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one
PubChem CID19577291
Molecular FormulaC10H13F6NO2
Molecular Weight293.21 g/mol
Exact Mass293.09
IUPAC Name1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one
SMILESCCC(C(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO2/c1-2-8(9(11,12)13,10(14,15)16)7(18)17-3-5-19-6-4-17/h2-6H2,1H3
InChIKeySDNWXRNEYAERFY-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one?
The IUPAC name of 1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one (CID 19577291) is 1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one is CCC(C(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one?
The InChIKey is SDNWXRNEYAERFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO2/c1-2-8(9(11,12)13,10(14,15)16)7(18)17-3-5-19-6-4-17/h2-6H2,1H3.
What are the key properties of 1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one?
1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one has a molecular weight of 293.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2,2-bis(trifluoromethyl)butan-1-one is sourced from PubChem (CID 19577291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).