anisole;2,2,2-trifluoroacetic acid

C9H9F3O3 — CID 66633105

IUPACanisole;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H8O.C2HF3O2/c1-8-7-5-3-2-4-6-7;3-2(4,5)1(6)7/h2-6H,1H3;(H,6,7)
InChIKeyNVYVHAPFRUEAJN-UHFFFAOYSA-N
MW222.16 g/mol
LogP2.33
Rot. Bonds1

About anisole;2,2,2-trifluoroacetic acid

anisole;2,2,2-trifluoroacetic acid (PubChem CID 66633105) has the molecular formula C9H9F3O3 and a molecular weight of 222.16 g/mol. Its IUPAC name is anisole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameanisole;2,2,2-trifluoroacetic acid
PubChem CID66633105
Molecular FormulaC9H9F3O3
Molecular Weight222.16 g/mol
Exact Mass222.05
IUPAC Nameanisole;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H8O.C2HF3O2/c1-8-7-5-3-2-4-6-7;3-2(4,5)1(6)7/h2-6H,1H3;(H,6,7)
InChIKeyNVYVHAPFRUEAJN-UHFFFAOYSA-N
XLogP2.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of anisole;2,2,2-trifluoroacetic acid?
The IUPAC name of anisole;2,2,2-trifluoroacetic acid (CID 66633105) is anisole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for anisole;2,2,2-trifluoroacetic acid?
The canonical SMILES for anisole;2,2,2-trifluoroacetic acid is COc1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of anisole;2,2,2-trifluoroacetic acid?
The InChIKey is NVYVHAPFRUEAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C2HF3O2/c1-8-7-5-3-2-4-6-7;3-2(4,5)1(6)7/h2-6H,1H3;(H,6,7).
What are the key properties of anisole;2,2,2-trifluoroacetic acid?
anisole;2,2,2-trifluoroacetic acid has a molecular weight of 222.16 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66633105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).