2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide

C11H13F3N2O2 — CID 43753315

IUPAC2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide
SMILESNCCC(Oc1ccccc1C(N)=O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)9(5-6-15)18-8-4-2-1-3-7(8)10(16)17/h1-4,9H,5-6,15H2,(H2,16,17)
InChIKeyRJJUSCQEPIXMHA-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.44
Rot. Bonds5

About 2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide

2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide (PubChem CID 43753315) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide.

Molecular Properties

Compound Name2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide
PubChem CID43753315
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide
SMILESNCCC(Oc1ccccc1C(N)=O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)9(5-6-15)18-8-4-2-1-3-7(8)10(16)17/h1-4,9H,5-6,15H2,(H2,16,17)
InChIKeyRJJUSCQEPIXMHA-UHFFFAOYSA-N
XLogP1.44
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753350
2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
CID 69220886
2-(1-fluoroethoxy)benzamide
CID 57150200
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide
CID 66091129
2-(1-amino-1-oxobutan-2-yl)oxybenzamide
CID 62899921
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
2-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 69456154
3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753381
2-(1-hydroxyhex-5-enoxy)benzamide
CID 145277814
3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753347
2-(2-carbamoylphenoxy)-3-methylbutanoic acid
CID 18073009

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide?
The IUPAC name of 2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide (CID 43753315) is 2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide.
What is the SMILES notation for 2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide?
The canonical SMILES for 2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide is NCCC(Oc1ccccc1C(N)=O)C(F)(F)F.
What is the InChIKey of 2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide?
The InChIKey is RJJUSCQEPIXMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)9(5-6-15)18-8-4-2-1-3-7(8)10(16)17/h1-4,9H,5-6,15H2,(H2,16,17).
What are the key properties of 2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide?
2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide has a molecular weight of 262.23 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide is sourced from PubChem (CID 43753315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).