N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide

C11H10F5NO — CID 115190351

IUPACN-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CCc1ccc(F)c(F)c1)C(=O)C(F)(F)F
InChIInChI=1S/C11H10F5NO/c1-17(10(18)11(14,15)16)5-4-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3
InChIKeyDLPLCBLVBWMYMY-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.53
Rot. Bonds3

About N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide

N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 115190351) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID115190351
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC NameN-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CCc1ccc(F)c(F)c1)C(=O)C(F)(F)F
InChIInChI=1S/C11H10F5NO/c1-17(10(18)11(14,15)16)5-4-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3
InChIKeyDLPLCBLVBWMYMY-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 163724477
N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide
CID 115176980
methyl 3-[2-(3,4-difluorophenyl)ethyl-methylamino]propanoate
CID 115232572
N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115197450
N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195073
4-(3,4-difluorophenyl)-2,2-difluorobutanoic acid
CID 116839749
1-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylformamide
CID 115172325
2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide
CID 115162206
4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide
CID 115157141
4-(3,4-difluorophenyl)-2,2-dimethylbutanoic acid
CID 65298322
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141021
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide (CID 115190351) is N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide is CN(CCc1ccc(F)c(F)c1)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is DLPLCBLVBWMYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO/c1-17(10(18)11(14,15)16)5-4-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 267.20 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 115190351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).