N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide

C15H16F6N2O3 — CID 11661015

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide
SMILESCN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H16F6N2O3/c1-22(12(24)23-6-8-26-9-7-23)11-4-2-10(3-5-11)13(25,14(16,17)18)15(19,20)21/h2-5,25H,6-9H2,1H3
InChIKeyLJBCGIRJLVWEEJ-UHFFFAOYSA-N
MW386.29 g/mol
LogP2.89
Rot. Bonds2

About N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide (PubChem CID 11661015) has the molecular formula C15H16F6N2O3 and a molecular weight of 386.29 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide
PubChem CID11661015
Molecular FormulaC15H16F6N2O3
Molecular Weight386.29 g/mol
Exact Mass386.11
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide
SMILESCN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H16F6N2O3/c1-22(12(24)23-6-8-26-9-7-23)11-4-2-10(3-5-11)13(25,14(16,17)18)15(19,20)21/h2-5,25H,6-9H2,1H3
InChIKeyLJBCGIRJLVWEEJ-UHFFFAOYSA-N
XLogP2.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide (CID 11661015) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide is CN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide?
The InChIKey is LJBCGIRJLVWEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N2O3/c1-22(12(24)23-6-8-26-9-7-23)11-4-2-10(3-5-11)13(25,14(16,17)18)15(19,20)21/h2-5,25H,6-9H2,1H3.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide has a molecular weight of 386.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 11661015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).