methanol;toluene;2,2,2-trifluoroacetic acid

C10H13F3O3 — CID 175547904

IUPACmethanol;toluene;2,2,2-trifluoroacetic acid
SMILESCO.Cc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H8.C2HF3O2.CH4O/c1-7-5-3-2-4-6-7;3-2(4,5)1(6)7;1-2/h2-6H,1H3;(H,6,7);2H,1H3
InChIKeyRZWJZQZLACCBNC-UHFFFAOYSA-N
MW238.20 g/mol
LogP2.24
Rot. Bonds

About methanol;toluene;2,2,2-trifluoroacetic acid

methanol;toluene;2,2,2-trifluoroacetic acid (PubChem CID 175547904) has the molecular formula C10H13F3O3 and a molecular weight of 238.20 g/mol. Its IUPAC name is methanol;toluene;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethanol;toluene;2,2,2-trifluoroacetic acid
PubChem CID175547904
Molecular FormulaC10H13F3O3
Molecular Weight238.20 g/mol
Exact Mass238.08
IUPAC Namemethanol;toluene;2,2,2-trifluoroacetic acid
SMILESCO.Cc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H8.C2HF3O2.CH4O/c1-7-5-3-2-4-6-7;3-2(4,5)1(6)7;1-2/h2-6H,1H3;(H,6,7);2H,1H3
InChIKeyRZWJZQZLACCBNC-UHFFFAOYSA-N
XLogP2.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methanol;toluene;2,2,2-trifluoroacetic acid?
The IUPAC name of methanol;toluene;2,2,2-trifluoroacetic acid (CID 175547904) is methanol;toluene;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methanol;toluene;2,2,2-trifluoroacetic acid?
The canonical SMILES for methanol;toluene;2,2,2-trifluoroacetic acid is CO.Cc1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of methanol;toluene;2,2,2-trifluoroacetic acid?
The InChIKey is RZWJZQZLACCBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C2HF3O2.CH4O/c1-7-5-3-2-4-6-7;3-2(4,5)1(6)7;1-2/h2-6H,1H3;(H,6,7);2H,1H3.
What are the key properties of methanol;toluene;2,2,2-trifluoroacetic acid?
methanol;toluene;2,2,2-trifluoroacetic acid has a molecular weight of 238.20 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;toluene;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175547904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).