2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone

C12H16F6N2O2 — CID 56791956

IUPAC2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCC(C(F)(F)F)(C(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C12H16F6N2O2/c13-11(14,15)10(12(16,17)18)1-2-19(8-10)7-9(21)20-3-5-22-6-4-20/h1-8H2
InChIKeyBHZDXFSOGSTSOK-UHFFFAOYSA-N
MW334.26 g/mol
LogP1.66
Rot. Bonds2

About 2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone

2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 56791956) has the molecular formula C12H16F6N2O2 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID56791956
Molecular FormulaC12H16F6N2O2
Molecular Weight334.26 g/mol
Exact Mass334.11
IUPAC Name2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCC(C(F)(F)F)(C(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C12H16F6N2O2/c13-11(14,15)10(12(16,17)18)1-2-19(8-10)7-9(21)20-3-5-22-6-4-20/h1-8H2
InChIKeyBHZDXFSOGSTSOK-UHFFFAOYSA-N
XLogP1.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone (CID 56791956) is 2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCC(C(F)(F)F)(C(F)(F)F)C1)N1CCOCC1.
What is the InChIKey of 2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is BHZDXFSOGSTSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F6N2O2/c13-11(14,15)10(12(16,17)18)1-2-19(8-10)7-9(21)20-3-5-22-6-4-20/h1-8H2.
What are the key properties of 2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 334.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 56791956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).