2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C15H22F3NO2 — CID 103726119

IUPAC2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(O)C(F)(F)F
InChIInChI=1S/C15H22F3NO2/c16-15(17,18)12(20)8-19-13(21)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-12,20H,1-8H2,(H,19,21)
InChIKeyLAROFDARIHLJPZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.63
Rot. Bonds4

About 2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103726119) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103726119
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(O)C(F)(F)F
InChIInChI=1S/C15H22F3NO2/c16-15(17,18)12(20)8-19-13(21)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-12,20H,1-8H2,(H,19,21)
InChIKeyLAROFDARIHLJPZ-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103726119) is 2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is LAROFDARIHLJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c16-15(17,18)12(20)8-19-13(21)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-12,20H,1-8H2,(H,19,21).
What are the key properties of 2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 305.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103726119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).