2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C9H14F3NO2 — CID 103726247

IUPAC2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1CCC1)NCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7(14)5-13-8(15)4-6-2-1-3-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyJPWPQFOZQHWPFJ-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.22
Rot. Bonds4

About 2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103726247) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103726247
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1CCC1)NCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7(14)5-13-8(15)4-6-2-1-3-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyJPWPQFOZQHWPFJ-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103726247) is 2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(CC1CCC1)NCC(O)C(F)(F)F.
What is the InChIKey of 2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is JPWPQFOZQHWPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)7(14)5-13-8(15)4-6-2-1-3-6/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of 2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103726247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).