N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide

C9H12F6N2O2 — CID 86245682

IUPACN,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide
SMILESO=C(C1CNCCO1)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C9H12F6N2O2/c10-8(11,12)4-17(5-9(13,14)15)7(18)6-3-16-1-2-19-6/h6,16H,1-5H2
InChIKeyJZRCBSDAMHBHDY-UHFFFAOYSA-N
MW294.20 g/mol
LogP0.93
Rot. Bonds3

About N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide

N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide (PubChem CID 86245682) has the molecular formula C9H12F6N2O2 and a molecular weight of 294.20 g/mol. Its IUPAC name is N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide
PubChem CID86245682
Molecular FormulaC9H12F6N2O2
Molecular Weight294.20 g/mol
Exact Mass294.08
IUPAC NameN,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide
SMILESO=C(C1CNCCO1)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C9H12F6N2O2/c10-8(11,12)4-17(5-9(13,14)15)7(18)6-3-16-1-2-19-6/h6,16H,1-5H2
InChIKeyJZRCBSDAMHBHDY-UHFFFAOYSA-N
XLogP0.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide?
The IUPAC name of N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide (CID 86245682) is N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide.
What is the SMILES notation for N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide?
The canonical SMILES for N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide is O=C(C1CNCCO1)N(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide?
The InChIKey is JZRCBSDAMHBHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N2O2/c10-8(11,12)4-17(5-9(13,14)15)7(18)6-3-16-1-2-19-6/h6,16H,1-5H2.
What are the key properties of N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide?
N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide has a molecular weight of 294.20 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide is sourced from PubChem (CID 86245682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).