N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide

C10H8Cl2F3NO — CID 62490766

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2F3NO/c1-5(16-9(17)10(13,14)15)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,16,17)
InChIKeyDDSOTRNYOOIIRK-UHFFFAOYSA-N
MW286.08 g/mol
LogP3.73
Rot. Bonds2

About N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide

N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 62490766) has the molecular formula C10H8Cl2F3NO and a molecular weight of 286.08 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID62490766
Molecular FormulaC10H8Cl2F3NO
Molecular Weight286.08 g/mol
Exact Mass284.99
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2F3NO/c1-5(16-9(17)10(13,14)15)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,16,17)
InChIKeyDDSOTRNYOOIIRK-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 79814263
2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide
CID 21035206
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
N-[(1S)-1-[4-(4-chlorophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 58651376
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
N-[1-[4-(4-chlorophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 21035256
3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669661
cis-(1S,2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31462999
5-[1-(3,4-dichlorophenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62965218
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772386

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide (CID 62490766) is N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide is CC(NC(=O)C(F)(F)F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is DDSOTRNYOOIIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F3NO/c1-5(16-9(17)10(13,14)15)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,16,17).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 286.08 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62490766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).