N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide

C12H9F6NO2 — CID 103309343

IUPACN-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C12H9F6NO2/c1-6(20)19-8-4-2-7(3-5-8)9(21)10(11(13,14)15)12(16,17)18/h2-5,10H,1H3,(H,19,20)
InChIKeyPJFBPSIYYXSBOL-UHFFFAOYSA-N
MW313.20 g/mol
LogP3.57
Rot. Bonds3

About N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide

N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide (PubChem CID 103309343) has the molecular formula C12H9F6NO2 and a molecular weight of 313.20 g/mol. Its IUPAC name is N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide
PubChem CID103309343
Molecular FormulaC12H9F6NO2
Molecular Weight313.20 g/mol
Exact Mass313.05
IUPAC NameN-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C12H9F6NO2/c1-6(20)19-8-4-2-7(3-5-8)9(21)10(11(13,14)15)12(16,17)18/h2-5,10H,1H3,(H,19,20)
InChIKeyPJFBPSIYYXSBOL-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-aminopropanoyl)phenyl]acetamide
CID 70449840
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
N-[4-[2-(tert-butylamino)propanoyl]phenyl]acetamide
CID 13458401
[4-(methylamino)phenyl] 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]benzoate
CID 58616826
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide
CID 95380737
4-(4-acetamidoanilino)benzoic acid
CID 11425691
N-(4-acetamidophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731824
4-acetamidobenzenecarbothioic S-acid
CID 86154982
4-acetamidobenzoyl chloride
CID 7010341
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide (CID 103309343) is N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide?
The InChIKey is PJFBPSIYYXSBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F6NO2/c1-6(20)19-8-4-2-7(3-5-8)9(21)10(11(13,14)15)12(16,17)18/h2-5,10H,1H3,(H,19,20).
What are the key properties of N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide?
N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide has a molecular weight of 313.20 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide is sourced from PubChem (CID 103309343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).