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

C15H15F6NO2 — CID 10269568

IUPAC[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C15H15F6NO2/c16-14(17,18)13(24,15(19,20)21)11-6-4-10(5-7-11)12(23)22-8-2-1-3-9-22/h4-7,24H,1-3,8-9H2
InChIKeyXPOKAKSJZJVCRM-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.62
Rot. Bonds2

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

[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-piperidin-1-ylmethanone (PubChem CID 10269568) has the molecular formula C15H15F6NO2 and a molecular weight of 355.28 g/mol. Its IUPAC name is [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-piperidin-1-ylmethanone
PubChem CID10269568
Molecular FormulaC15H15F6NO2
Molecular Weight355.28 g/mol
Exact Mass355.10
IUPAC Name[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C15H15F6NO2/c16-14(17,18)13(24,15(19,20)21)11-6-4-10(5-7-11)12(23)22-8-2-1-3-9-22/h4-7,24H,1-3,8-9H2
InChIKeyXPOKAKSJZJVCRM-UHFFFAOYSA-N
XLogP3.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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]-piperidin-1-ylmethanone?
The IUPAC name of [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-piperidin-1-ylmethanone (CID 10269568) is [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCCCC1.
What is the InChIKey of [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is XPOKAKSJZJVCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F6NO2/c16-14(17,18)13(24,15(19,20)21)11-6-4-10(5-7-11)12(23)22-8-2-1-3-9-22/h4-7,24H,1-3,8-9H2.
What are the key properties of [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-piperidin-1-ylmethanone?
[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 355.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 10269568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).