[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone

C14H13F6NO3 — CID 11530524

IUPAC[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C14H13F6NO3/c15-13(16,17)12(23,14(18,19)20)10-3-1-9(2-4-10)11(22)21-5-7-24-8-6-21/h1-4,23H,5-8H2
InChIKeyNCLWVPZWZZGUBK-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.47
Rot. Bonds2

About [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone

[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 11530524) has the molecular formula C14H13F6NO3 and a molecular weight of 357.25 g/mol. Its IUPAC name is [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID11530524
Molecular FormulaC14H13F6NO3
Molecular Weight357.25 g/mol
Exact Mass357.08
IUPAC Name[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C14H13F6NO3/c15-13(16,17)12(23,14(18,19)20)10-3-1-9(2-4-10)11(22)21-5-7-24-8-6-21/h1-4,23H,5-8H2
InChIKeyNCLWVPZWZZGUBK-UHFFFAOYSA-N
XLogP2.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone (CID 11530524) is [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is NCLWVPZWZZGUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F6NO3/c15-13(16,17)12(23,14(18,19)20)10-3-1-9(2-4-10)11(22)21-5-7-24-8-6-21/h1-4,23H,5-8H2.
What are the key properties of [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone?
[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 357.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11530524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).