N-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide

C9H17F2NO2 — CID 103769621

IUPACN-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(O)C(F)F
InChIInChI=1S/C9H17F2NO2/c1-6(2)3-4-8(14)12-5-7(13)9(10)11/h6-7,9,13H,3-5H2,1-2H3,(H,12,14)
InChIKeyAUWSVJXSADPDNN-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.16
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide

N-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide (PubChem CID 103769621) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide
PubChem CID103769621
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(O)C(F)F
InChIInChI=1S/C9H17F2NO2/c1-6(2)3-4-8(14)12-5-7(13)9(10)11/h6-7,9,13H,3-5H2,1-2H3,(H,12,14)
InChIKeyAUWSVJXSADPDNN-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide (CID 103769621) is N-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide is CC(C)CCC(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide?
The InChIKey is AUWSVJXSADPDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-6(2)3-4-8(14)12-5-7(13)9(10)11/h6-7,9,13H,3-5H2,1-2H3,(H,12,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide?
N-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide has a molecular weight of 209.24 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide is sourced from PubChem (CID 103769621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).