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

C17H20F6N2O3 — CID 10273201

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-propylmorpholine-4-carboxamide
SMILESCCCN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H20F6N2O3/c1-2-7-25(14(26)24-8-10-28-11-9-24)13-5-3-12(4-6-13)15(27,16(18,19)20)17(21,22)23/h3-6,27H,2,7-11H2,1H3
InChIKeyUMKNCERWDMGXJQ-UHFFFAOYSA-N
MW414.35 g/mol
LogP3.67
Rot. Bonds4

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

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-propylmorpholine-4-carboxamide (PubChem CID 10273201) has the molecular formula C17H20F6N2O3 and a molecular weight of 414.35 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-propylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-propylmorpholine-4-carboxamide
PubChem CID10273201
Molecular FormulaC17H20F6N2O3
Molecular Weight414.35 g/mol
Exact Mass414.14
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-propylmorpholine-4-carboxamide
SMILESCCCN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H20F6N2O3/c1-2-7-25(14(26)24-8-10-28-11-9-24)13-5-3-12(4-6-13)15(27,16(18,19)20)17(21,22)23/h3-6,27H,2,7-11H2,1H3
InChIKeyUMKNCERWDMGXJQ-UHFFFAOYSA-N
XLogP3.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 53.67
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-propylmorpholine-4-carboxamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-propylmorpholine-4-carboxamide (CID 10273201) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-propylmorpholine-4-carboxamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-propylmorpholine-4-carboxamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-propylmorpholine-4-carboxamide is CCCN(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-propylmorpholine-4-carboxamide?
The InChIKey is UMKNCERWDMGXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F6N2O3/c1-2-7-25(14(26)24-8-10-28-11-9-24)13-5-3-12(4-6-13)15(27,16(18,19)20)17(21,22)23/h3-6,27H,2,7-11H2,1H3.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-propylmorpholine-4-carboxamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-propylmorpholine-4-carboxamide has a molecular weight of 414.35 g/mol, XLogP of 3.67, 4 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-propylmorpholine-4-carboxamide is sourced from PubChem (CID 10273201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).