N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide

C9H17F2NO2 — CID 103526983

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC(F)(F)CO
InChIInChI=1S/C9H17F2NO2/c1-3-7(2)4-8(14)12-5-9(10,11)6-13/h7,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyQUOBMPFLDFHHOL-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.17
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide

N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide (PubChem CID 103526983) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide
PubChem CID103526983
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC(F)(F)CO
InChIInChI=1S/C9H17F2NO2/c1-3-7(2)4-8(14)12-5-9(10,11)6-13/h7,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyQUOBMPFLDFHHOL-UHFFFAOYSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide (CID 103526983) is N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide is CCC(C)CC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide?
The InChIKey is QUOBMPFLDFHHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-3-7(2)4-8(14)12-5-9(10,11)6-13/h7,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide has a molecular weight of 209.24 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide is sourced from PubChem (CID 103526983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).