N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide

C11H10F5NO — CID 62726518

IUPACN-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H10F5NO/c1-6(17(2)10(18)11(14,15)16)8-5-7(12)3-4-9(8)13/h3-6H,1-2H3
InChIKeyZZKHGRKGZDIFDG-UHFFFAOYSA-N
MW267.20 g/mol
LogP3.05
Rot. Bonds2

About N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide

N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 62726518) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID62726518
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H10F5NO/c1-6(17(2)10(18)11(14,15)16)8-5-7(12)3-4-9(8)13/h3-6H,1-2H3
InChIKeyZZKHGRKGZDIFDG-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788857
2,2,2-trifluoroethyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 61067667
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
3-[1-(2,5-difluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049111
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62637683
N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62729337
N-[1-(2,5-difluorophenyl)ethyl]-N-methylhexanamide
CID 86925812
cis-(1S,3R)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 124678581
trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 124515814
N-[1-(2,5-difluorophenyl)ethyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645773
cis-(1S,3R)-3-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 129466151
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119717498

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide (CID 62726518) is N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide is CC(c1cc(F)ccc1F)N(C)C(=O)C(F)(F)F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is ZZKHGRKGZDIFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO/c1-6(17(2)10(18)11(14,15)16)8-5-7(12)3-4-9(8)13/h3-6H,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 267.20 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 62726518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).