N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide

C10H15F5N2O2 — CID 123355708

IUPACN-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide
SMILESCC(F)(F)C(C)(NC(=O)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H15F5N2O2/c1-8(9(2,11)12,10(13,14)15)16-7(18)17-3-5-19-6-4-17/h3-6H2,1-2H3,(H,16,18)
InChIKeyJLDYYOILDVEDIE-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.00
Rot. Bonds2

About N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide

N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide (PubChem CID 123355708) has the molecular formula C10H15F5N2O2 and a molecular weight of 290.23 g/mol. Its IUPAC name is N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide
PubChem CID123355708
Molecular FormulaC10H15F5N2O2
Molecular Weight290.23 g/mol
Exact Mass290.11
IUPAC NameN-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide
SMILESCC(F)(F)C(C)(NC(=O)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H15F5N2O2/c1-8(9(2,11)12,10(13,14)15)16-7(18)17-3-5-19-6-4-17/h3-6H2,1-2H3,(H,16,18)
InChIKeyJLDYYOILDVEDIE-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide (CID 123355708) is N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide is CC(F)(F)C(C)(NC(=O)N1CCOCC1)C(F)(F)F.
What is the InChIKey of N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide?
The InChIKey is JLDYYOILDVEDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5N2O2/c1-8(9(2,11)12,10(13,14)15)16-7(18)17-3-5-19-6-4-17/h3-6H2,1-2H3,(H,16,18).
What are the key properties of N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide?
N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide has a molecular weight of 290.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 123355708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).