N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide

C10H8Cl3F2NO — CID 54366918

IUPACN-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(F)(F)C(Cl)(Cl)Cl)c1
InChIInChI=1S/C10H8Cl3F2NO/c1-6(17)16-8-4-2-3-7(5-8)9(14,15)10(11,12)13/h2-5H,1H3,(H,16,17)
InChIKeyUQKXKFKXCJDODF-UHFFFAOYSA-N
MW302.54 g/mol
LogP4.11
Rot. Bonds2

About N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide

N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide (PubChem CID 54366918) has the molecular formula C10H8Cl3F2NO and a molecular weight of 302.54 g/mol. Its IUPAC name is N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide
PubChem CID54366918
Molecular FormulaC10H8Cl3F2NO
Molecular Weight302.54 g/mol
Exact Mass300.96
IUPAC NameN-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(F)(F)C(Cl)(Cl)Cl)c1
InChIInChI=1S/C10H8Cl3F2NO/c1-6(17)16-8-4-2-3-7(5-8)9(14,15)10(11,12)13/h2-5H,1H3,(H,16,17)
InChIKeyUQKXKFKXCJDODF-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
N-(3-acetamidophenyl)-2-hydroxy-2-methylpropanamide
CID 103429382
N-[3-(1,1,2,2-tetraiodoethyl)phenyl]acetamide
CID 134337067
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide
CID 139604585
N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide
CID 139604575
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
N-[3-(1,1-difluoroethyl)phenyl]-2-hydroxyacetamide
CID 126784306
2-oxo-N-[3-(trifluoromethyl)phenyl]propanethioamide
CID 141059114

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide?
The IUPAC name of N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide (CID 54366918) is N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide is CC(=O)Nc1cccc(C(F)(F)C(Cl)(Cl)Cl)c1.
What is the InChIKey of N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide?
The InChIKey is UQKXKFKXCJDODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3F2NO/c1-6(17)16-8-4-2-3-7(5-8)9(14,15)10(11,12)13/h2-5H,1H3,(H,16,17).
What are the key properties of N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide?
N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide has a molecular weight of 302.54 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide is sourced from PubChem (CID 54366918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).