acetic acid;3-(trifluoromethyl)benzamide

C10H10F3NO3 — CID 19864609

IUPACacetic acid;3-(trifluoromethyl)benzamide
SMILESCC(=O)O.NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3NO.C2H4O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13;1-2(3)4/h1-4H,(H2,12,13);1H3,(H,3,4)
InChIKeyVDXGOCYTTJEHDQ-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.90
Rot. Bonds1

About acetic acid;3-(trifluoromethyl)benzamide

acetic acid;3-(trifluoromethyl)benzamide (PubChem CID 19864609) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is acetic acid;3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Nameacetic acid;3-(trifluoromethyl)benzamide
PubChem CID19864609
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Nameacetic acid;3-(trifluoromethyl)benzamide
SMILESCC(=O)O.NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3NO.C2H4O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13;1-2(3)4/h1-4H,(H2,12,13);1H3,(H,3,4)
InChIKeyVDXGOCYTTJEHDQ-UHFFFAOYSA-N
XLogP1.90
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3-(trifluoromethyl)benzamide?
The IUPAC name of acetic acid;3-(trifluoromethyl)benzamide (CID 19864609) is acetic acid;3-(trifluoromethyl)benzamide.
What is the SMILES notation for acetic acid;3-(trifluoromethyl)benzamide?
The canonical SMILES for acetic acid;3-(trifluoromethyl)benzamide is CC(=O)O.NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of acetic acid;3-(trifluoromethyl)benzamide?
The InChIKey is VDXGOCYTTJEHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO.C2H4O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13;1-2(3)4/h1-4H,(H2,12,13);1H3,(H,3,4).
What are the key properties of acetic acid;3-(trifluoromethyl)benzamide?
acetic acid;3-(trifluoromethyl)benzamide has a molecular weight of 249.19 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-(trifluoromethyl)benzamide is sourced from PubChem (CID 19864609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).