benzamide;trifluoromethyl 2,2,2-trifluoroacetate

C10H7F6NO3 — CID 87606845

IUPACbenzamide;trifluoromethyl 2,2,2-trifluoroacetate
SMILESNC(=O)c1ccccc1.O=C(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7NO.C3F6O2/c8-7(9)6-4-2-1-3-5-6;4-2(5,6)1(10)11-3(7,8)9/h1-5H,(H2,8,9);
InChIKeySLOAAHYFTNGLDV-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.40
Rot. Bonds1

About benzamide;trifluoromethyl 2,2,2-trifluoroacetate

benzamide;trifluoromethyl 2,2,2-trifluoroacetate (PubChem CID 87606845) has the molecular formula C10H7F6NO3 and a molecular weight of 303.16 g/mol. Its IUPAC name is benzamide;trifluoromethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namebenzamide;trifluoromethyl 2,2,2-trifluoroacetate
PubChem CID87606845
Molecular FormulaC10H7F6NO3
Molecular Weight303.16 g/mol
Exact Mass303.03
IUPAC Namebenzamide;trifluoromethyl 2,2,2-trifluoroacetate
SMILESNC(=O)c1ccccc1.O=C(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7NO.C3F6O2/c8-7(9)6-4-2-1-3-5-6;4-2(5,6)1(10)11-3(7,8)9/h1-5H,(H2,8,9);
InChIKeySLOAAHYFTNGLDV-UHFFFAOYSA-N
XLogP2.40
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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sodium;benzamide;benzoic acid;hydride
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dipotassium;benzamide;carbonate
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CID 71744238
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Frequently Asked Questions

What is the IUPAC name of benzamide;trifluoromethyl 2,2,2-trifluoroacetate?
The IUPAC name of benzamide;trifluoromethyl 2,2,2-trifluoroacetate (CID 87606845) is benzamide;trifluoromethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for benzamide;trifluoromethyl 2,2,2-trifluoroacetate?
The canonical SMILES for benzamide;trifluoromethyl 2,2,2-trifluoroacetate is NC(=O)c1ccccc1.O=C(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of benzamide;trifluoromethyl 2,2,2-trifluoroacetate?
The InChIKey is SLOAAHYFTNGLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C3F6O2/c8-7(9)6-4-2-1-3-5-6;4-2(5,6)1(10)11-3(7,8)9/h1-5H,(H2,8,9);.
What are the key properties of benzamide;trifluoromethyl 2,2,2-trifluoroacetate?
benzamide;trifluoromethyl 2,2,2-trifluoroacetate has a molecular weight of 303.16 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;trifluoromethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 87606845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).