2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide

C7H13F2NO2 — CID 103513982

IUPAC2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide
SMILESCC(O)CC(C)NC(=O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-4(3-5(2)11)10-7(12)6(8)9/h4-6,11H,3H2,1-2H3,(H,10,12)
InChIKeyUCTUGLUQBKDDGU-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.53
Rot. Bonds4

About 2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide

2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide (PubChem CID 103513982) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide
PubChem CID103513982
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide
SMILESCC(O)CC(C)NC(=O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-4(3-5(2)11)10-7(12)6(8)9/h4-6,11H,3H2,1-2H3,(H,10,12)
InChIKeyUCTUGLUQBKDDGU-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide (CID 103513982) is 2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide is CC(O)CC(C)NC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide?
The InChIKey is UCTUGLUQBKDDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-4(3-5(2)11)10-7(12)6(8)9/h4-6,11H,3H2,1-2H3,(H,10,12).
What are the key properties of 2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide?
2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide has a molecular weight of 181.18 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide is sourced from PubChem (CID 103513982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).