N-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide

C10H9ClF3NO — CID 4621125

IUPACN-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCc1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO/c11-8-3-1-2-7(6-8)4-5-15-9(16)10(12,13)14/h1-3,6H,4-5H2,(H,15,16)
InChIKeyOYPHHKYAFSEGNV-UHFFFAOYSA-N
MW251.63 g/mol
LogP2.56
Rot. Bonds3

About N-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 4621125) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID4621125
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCc1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO/c11-8-3-1-2-7(6-8)4-5-15-9(16)10(12,13)14/h1-3,6H,4-5H2,(H,15,16)
InChIKeyOYPHHKYAFSEGNV-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2,2-Trifluoro-N-(2-phenylethyl)acetamide
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CID 214756
N-((4-Chlorophenyl)methyl)acetamide
CID 42116
2-Chloro-N-(3-chlorobenzyl)acetamide
CID 602747
3-(3-chlorophenyl)-N-(2-phenylethyl)acrylamide
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CID 1122223

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide (CID 4621125) is N-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide is O=C(NCCc1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is OYPHHKYAFSEGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c11-8-3-1-2-7(6-8)4-5-15-9(16)10(12,13)14/h1-3,6H,4-5H2,(H,15,16).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 251.63 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 4621125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).