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

C19H24F6N2O3 — CID 10181847

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-pentylmorpholine-4-carboxamide
SMILESCCCCCN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H24F6N2O3/c1-2-3-4-9-27(16(28)26-10-12-30-13-11-26)15-7-5-14(6-8-15)17(29,18(20,21)22)19(23,24)25/h5-8,29H,2-4,9-13H2,1H3
InChIKeyIQMBNDWOOAIOLL-UHFFFAOYSA-N
MW442.40 g/mol
LogP4.45
Rot. Bonds6

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

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-pentylmorpholine-4-carboxamide (PubChem CID 10181847) has the molecular formula C19H24F6N2O3 and a molecular weight of 442.40 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-pentylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-pentylmorpholine-4-carboxamide
PubChem CID10181847
Molecular FormulaC19H24F6N2O3
Molecular Weight442.40 g/mol
Exact Mass442.17
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-pentylmorpholine-4-carboxamide
SMILESCCCCCN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H24F6N2O3/c1-2-3-4-9-27(16(28)26-10-12-30-13-11-26)15-7-5-14(6-8-15)17(29,18(20,21)22)19(23,24)25/h5-8,29H,2-4,9-13H2,1H3
InChIKeyIQMBNDWOOAIOLL-UHFFFAOYSA-N
XLogP4.45
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-pentylmorpholine-4-carboxamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-pentylmorpholine-4-carboxamide (CID 10181847) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-pentylmorpholine-4-carboxamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-pentylmorpholine-4-carboxamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-pentylmorpholine-4-carboxamide is CCCCCN(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-pentylmorpholine-4-carboxamide?
The InChIKey is IQMBNDWOOAIOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F6N2O3/c1-2-3-4-9-27(16(28)26-10-12-30-13-11-26)15-7-5-14(6-8-15)17(29,18(20,21)22)19(23,24)25/h5-8,29H,2-4,9-13H2,1H3.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-pentylmorpholine-4-carboxamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-pentylmorpholine-4-carboxamide has a molecular weight of 442.40 g/mol, XLogP of 4.45, 6 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-pentylmorpholine-4-carboxamide is sourced from PubChem (CID 10181847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).