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

C16H18F6N2O4 — CID 11546160

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)morpholine-4-carboxamide
SMILESO=C(N1CCOCC1)N(CCO)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H18F6N2O4/c17-15(18,19)14(27,16(20,21)22)11-1-3-12(4-2-11)24(5-8-25)13(26)23-6-9-28-10-7-23/h1-4,25,27H,5-10H2
InChIKeyKFXNTVQJLUWUPO-UHFFFAOYSA-N
MW416.32 g/mol
LogP2.25
Rot. Bonds4

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

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)morpholine-4-carboxamide (PubChem CID 11546160) has the molecular formula C16H18F6N2O4 and a molecular weight of 416.32 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)morpholine-4-carboxamide
PubChem CID11546160
Molecular FormulaC16H18F6N2O4
Molecular Weight416.32 g/mol
Exact Mass416.12
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)morpholine-4-carboxamide
SMILESO=C(N1CCOCC1)N(CCO)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H18F6N2O4/c17-15(18,19)14(27,16(20,21)22)11-1-3-12(4-2-11)24(5-8-25)13(26)23-6-9-28-10-7-23/h1-4,25,27H,5-10H2
InChIKeyKFXNTVQJLUWUPO-UHFFFAOYSA-N
XLogP2.25
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(2-hydroxyethyl)morpholine-4-carboxamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)morpholine-4-carboxamide (CID 11546160) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)morpholine-4-carboxamide is O=C(N1CCOCC1)N(CCO)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-(2-hydroxyethyl)morpholine-4-carboxamide?
The InChIKey is KFXNTVQJLUWUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F6N2O4/c17-15(18,19)14(27,16(20,21)22)11-1-3-12(4-2-11)24(5-8-25)13(26)23-6-9-28-10-7-23/h1-4,25,27H,5-10H2.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)morpholine-4-carboxamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)morpholine-4-carboxamide has a molecular weight of 416.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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-(2-hydroxyethyl)morpholine-4-carboxamide is sourced from PubChem (CID 11546160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).