4-(2,2,2-trifluoroethoxymethyl)benzamide

C10H10F3NO2 — CID 91641393

IUPAC4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESNC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)6-16-5-7-1-3-8(4-2-7)9(14)15/h1-4H,5-6H2,(H2,14,15)
InChIKeyVILVMBJQQVUTGE-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.86
Rot. Bonds4

About 4-(2,2,2-trifluoroethoxymethyl)benzamide

4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 91641393) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID91641393
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESNC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)6-16-5-7-1-3-8(4-2-7)9(14)15/h1-4H,5-6H2,(H2,14,15)
InChIKeyVILVMBJQQVUTGE-UHFFFAOYSA-N
XLogP1.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2,2-trifluoroethoxymethyl)benzenecarbothioamide
CID 24698396
3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 46699470
4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
CID 24703974
4-[(2-amino-2-ethylbutoxy)methyl]benzamide
CID 64571445
methyl 4-(2,2,2-trifluoroethoxymethyl)benzoate;4-(2,2,2-trifluoroethoxymethyl)benzoic acid
CID 159461011
(5-chlorothiadiazol-4-yl)methyl 4-(2,2,2-trifluoroethoxymethyl)benzoate
CID 55562493
4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55489667
[(2S,5S)-2,5-dimethylmorpholin-4-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
CID 94051516
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
CID 94051513
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
1-(diaminomethylidene)-2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]guanidine
CID 168604353
4-(2,2,3,3-tetrafluoropropoxymethyl)benzoic acid
CID 890262

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 91641393) is 4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)benzamide is NC(=O)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is VILVMBJQQVUTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)6-16-5-7-1-3-8(4-2-7)9(14)15/h1-4H,5-6H2,(H2,14,15).
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)benzamide?
4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 233.19 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 91641393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).