N-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide

C11H13F2NO — CID 15352589

IUPACN-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide
SMILESCC(=O)NC(c1ccc(C)cc1)C(F)F
InChIInChI=1S/C11H13F2NO/c1-7-3-5-9(6-4-7)10(11(12)13)14-8(2)15/h3-6,10-11H,1-2H3,(H,14,15)
InChIKeyGDCQHKKOHJSGBR-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.44
Rot. Bonds3

About N-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide

N-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 15352589) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is N-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide
PubChem CID15352589
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide
SMILESCC(=O)NC(c1ccc(C)cc1)C(F)F
InChIInChI=1S/C11H13F2NO/c1-7-3-5-9(6-4-7)10(11(12)13)14-8(2)15/h3-6,10-11H,1-2H3,(H,14,15)
InChIKeyGDCQHKKOHJSGBR-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of N-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide (CID 15352589) is N-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for N-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide is CC(=O)NC(c1ccc(C)cc1)C(F)F.
What is the InChIKey of N-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is GDCQHKKOHJSGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-7-3-5-9(6-4-7)10(11(12)13)14-8(2)15/h3-6,10-11H,1-2H3,(H,14,15).
What are the key properties of N-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide?
N-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 213.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 15352589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).