4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2-phenylethyl)benzamide

C18H15F6NO2 — CID 11610826

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C18H15F6NO2/c19-17(20,21)16(27,18(22,23)24)14-8-6-13(7-9-14)15(26)25-11-10-12-4-2-1-3-5-12/h1-9,27H,10-11H2,(H,25,26)
InChIKeyNHIQHUOIOSOMBZ-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.97
Rot. Bonds5

About 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2-phenylethyl)benzamide

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2-phenylethyl)benzamide (PubChem CID 11610826) has the molecular formula C18H15F6NO2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2-phenylethyl)benzamide
PubChem CID11610826
Molecular FormulaC18H15F6NO2
Molecular Weight391.31 g/mol
Exact Mass391.10
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C18H15F6NO2/c19-17(20,21)16(27,18(22,23)24)14-8-6-13(7-9-14)15(26)25-11-10-12-4-2-1-3-5-12/h1-9,27H,10-11H2,(H,25,26)
InChIKeyNHIQHUOIOSOMBZ-UHFFFAOYSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.97
H-Bond Donors ≤ 52
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)-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2-phenylethyl)benzamide (CID 11610826) is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2-phenylethyl)benzamide?
The InChIKey is NHIQHUOIOSOMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6NO2/c19-17(20,21)16(27,18(22,23)24)14-8-6-13(7-9-14)15(26)25-11-10-12-4-2-1-3-5-12/h1-9,27H,10-11H2,(H,25,26).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2-phenylethyl)benzamide?
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2-phenylethyl)benzamide has a molecular weight of 391.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 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)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 11610826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).