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

C15H23F2NO2 — CID 103769948

IUPAC2-(1-adamantyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(O)C(F)F
InChIInChI=1S/C15H23F2NO2/c16-14(17)12(19)8-18-13(20)7-15-4-9-1-10(5-15)3-11(2-9)6-15/h9-12,14,19H,1-8H2,(H,18,20)
InChIKeyCKUNIQZUUIRYGR-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.34
Rot. Bonds5

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

2-(1-adamantyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide (PubChem CID 103769948) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
PubChem CID103769948
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name2-(1-adamantyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(O)C(F)F
InChIInChI=1S/C15H23F2NO2/c16-14(17)12(19)8-18-13(20)7-15-4-9-1-10(5-15)3-11(2-9)6-15/h9-12,14,19H,1-8H2,(H,18,20)
InChIKeyCKUNIQZUUIRYGR-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.34
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-difluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide (CID 103769948) is 2-(1-adamantyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(O)C(F)F.
What is the InChIKey of 2-(1-adamantyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The InChIKey is CKUNIQZUUIRYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c16-14(17)12(19)8-18-13(20)7-15-4-9-1-10(5-15)3-11(2-9)6-15/h9-12,14,19H,1-8H2,(H,18,20).
What are the key properties of 2-(1-adamantyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
2-(1-adamantyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide has a molecular weight of 287.35 g/mol, XLogP of 2.34, 5 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-difluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103769948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).