2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide

C14H14F3NO2 — CID 155073790

IUPAC2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(CO)NC12CC(c3ccc(C(F)(F)F)cc3)(C1)C2
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)10-3-1-9(2-4-10)12-6-13(7-12,8-12)18-11(20)5-19/h1-4,19H,5-8H2,(H,18,20)
InChIKeyXEIXZIYGEKCCFF-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.99
Rot. Bonds3

About 2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 155073790) has the molecular formula C14H14F3NO2 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID155073790
Molecular FormulaC14H14F3NO2
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(CO)NC12CC(c3ccc(C(F)(F)F)cc3)(C1)C2
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)10-3-1-9(2-4-10)12-6-13(7-12,8-12)18-11(20)5-19/h1-4,19H,5-8H2,(H,18,20)
InChIKeyXEIXZIYGEKCCFF-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 155073790) is 2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(CO)NC12CC(c3ccc(C(F)(F)F)cc3)(C1)C2.
What is the InChIKey of 2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is XEIXZIYGEKCCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c15-14(16,17)10-3-1-9(2-4-10)12-6-13(7-12,8-12)18-11(20)5-19/h1-4,19H,5-8H2,(H,18,20).
What are the key properties of 2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 285.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 155073790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).