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

C10H7F6NO2 — CID 131964350

IUPAC2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(NC(=O)C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C10H7F6NO2/c1-19-7-4-5(17-8(18)10(14,15)16)2-3-6(7)9(11,12)13/h2-4H,1H3,(H,17,18)
InChIKeyLRLGBWUZSHJRFF-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.21
Rot. Bonds2

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

2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 131964350) has the molecular formula C10H7F6NO2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide
PubChem CID131964350
Molecular FormulaC10H7F6NO2
Molecular Weight287.16 g/mol
Exact Mass287.04
IUPAC Name2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(NC(=O)C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C10H7F6NO2/c1-19-7-4-5(17-8(18)10(14,15)16)2-3-6(7)9(11,12)13/h2-4H,1H3,(H,17,18)
InChIKeyLRLGBWUZSHJRFF-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 19958570
2-[[3-methoxy-4-(trifluoromethyl)phenyl]carbamoyl]-3-methylbutanoic acid
CID 155954449
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
(2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 100759967
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933228
N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 885871
5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide
CID 20629897
2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide
CID 133203979
2,2,2-trifluoro-N-(3-methoxy-2,5-dioxo-1H-1-benzazepin-7-yl)acetamide
CID 10734010
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134
2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide
CID 142667086
2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
CID 51132083

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide (CID 131964350) is 2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide is COc1cc(NC(=O)C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LRLGBWUZSHJRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO2/c1-19-7-4-5(17-8(18)10(14,15)16)2-3-6(7)9(11,12)13/h2-4H,1H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide?
2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 287.16 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 131964350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).