3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide

C10H7F6NO2 — CID 174736453

IUPAC3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CC(F)(F)F)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H7F6NO2/c11-9(12,13)5-8(18)17-6-1-3-7(4-2-6)19-10(14,15)16/h1-4H,5H2,(H,17,18)
InChIKeyJYJUQYBJSZCRBK-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.48
Rot. Bonds3

About 3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide

3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 174736453) has the molecular formula C10H7F6NO2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID174736453
Molecular FormulaC10H7F6NO2
Molecular Weight287.16 g/mol
Exact Mass287.04
IUPAC Name3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CC(F)(F)F)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H7F6NO2/c11-9(12,13)5-8(18)17-6-1-3-7(4-2-6)19-10(14,15)16/h1-4H,5H2,(H,17,18)
InChIKeyJYJUQYBJSZCRBK-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 79198633
2-(2-hydroxyethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71628791
2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5010640
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119262786
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
2-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18277342
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
2-(4-methoxyphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711310

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 174736453) is 3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide is O=C(CC(F)(F)F)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is JYJUQYBJSZCRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO2/c11-9(12,13)5-8(18)17-6-1-3-7(4-2-6)19-10(14,15)16/h1-4H,5H2,(H,17,18).
What are the key properties of 3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide?
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 287.16 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 174736453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).