2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide

C10H18F3NO2 — CID 88761108

IUPAC2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide
SMILESCCCCCC(O)C(CF)NC(=O)C(F)F
InChIInChI=1S/C10H18F3NO2/c1-2-3-4-5-8(15)7(6-11)14-10(16)9(12)13/h7-9,15H,2-6H2,1H3,(H,14,16)
InChIKeyUZQBBVKKBDTBJQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.65
Rot. Bonds8

About 2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide

2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide (PubChem CID 88761108) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide
PubChem CID88761108
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide
SMILESCCCCCC(O)C(CF)NC(=O)C(F)F
InChIInChI=1S/C10H18F3NO2/c1-2-3-4-5-8(15)7(6-11)14-10(16)9(12)13/h7-9,15H,2-6H2,1H3,(H,14,16)
InChIKeyUZQBBVKKBDTBJQ-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide (CID 88761108) is 2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide is CCCCCC(O)C(CF)NC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide?
The InChIKey is UZQBBVKKBDTBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-2-3-4-5-8(15)7(6-11)14-10(16)9(12)13/h7-9,15H,2-6H2,1H3,(H,14,16).
What are the key properties of 2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide?
2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide has a molecular weight of 241.25 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide is sourced from PubChem (CID 88761108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).