2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide

C16H9F8NO2 — CID 3712977

IUPAC2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(F)(F)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H9F8NO2/c17-14(18,19)9-4-6-11(7-5-9)25-13(26)16(23,24)27-12-3-1-2-10(8-12)15(20,21)22/h1-8H,(H,25,26)
InChIKeyRFDKBWXZVBZPLE-UHFFFAOYSA-N
MW399.24 g/mol
LogP5.33
Rot. Bonds4

About 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide

2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 3712977) has the molecular formula C16H9F8NO2 and a molecular weight of 399.24 g/mol. Its IUPAC name is 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID3712977
Molecular FormulaC16H9F8NO2
Molecular Weight399.24 g/mol
Exact Mass399.05
IUPAC Name2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(F)(F)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H9F8NO2/c17-14(18,19)9-4-6-11(7-5-9)25-13(26)16(23,24)27-12-3-1-2-10(8-12)15(20,21)22/h1-8H,(H,25,26)
InChIKeyRFDKBWXZVBZPLE-UHFFFAOYSA-N
XLogP5.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.24
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide
CID 20716397
2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 18709942
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-(trifluoromethyl)benzoate
CID 7860111
[3-(trifluoromethoxy)phenoxy]-[3-(trifluoromethyl)phenyl]methanol
CID 173224458
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 168520366
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071374

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 3712977) is 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Nc1ccc(C(F)(F)F)cc1)C(F)(F)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RFDKBWXZVBZPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F8NO2/c17-14(18,19)9-4-6-11(7-5-9)25-13(26)16(23,24)27-12-3-1-2-10(8-12)15(20,21)22/h1-8H,(H,25,26).
What are the key properties of 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 399.24 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3712977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).