N-(2,6-difluorophenyl)propanamide

C9H9F2NO — CID 17019606

IUPACN-(2,6-difluorophenyl)propanamide
SMILESCCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C9H9F2NO/c1-2-8(13)12-9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyYVKZTGWTZWAUQI-UHFFFAOYSA-N
MW185.17 g/mol
LogP2.31
Rot. Bonds2

About N-(2,6-difluorophenyl)propanamide

N-(2,6-difluorophenyl)propanamide (PubChem CID 17019606) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)propanamide
PubChem CID17019606
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC NameN-(2,6-difluorophenyl)propanamide
SMILESCCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C9H9F2NO/c1-2-8(13)12-9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyYVKZTGWTZWAUQI-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)propanamide?
The IUPAC name of N-(2,6-difluorophenyl)propanamide (CID 17019606) is N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for N-(2,6-difluorophenyl)propanamide is CCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)propanamide?
The InChIKey is YVKZTGWTZWAUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-2-8(13)12-9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of N-(2,6-difluorophenyl)propanamide?
N-(2,6-difluorophenyl)propanamide has a molecular weight of 185.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 17019606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).