toluene;2,2,2-trifluoroethanol

C9H11F3O — CID 67743203

IUPACtoluene;2,2,2-trifluoroethanol
SMILESCc1ccccc1.OCC(F)(F)F
InChIInChI=1S/C7H8.C2H3F3O/c1-7-5-3-2-4-6-7;3-2(4,5)1-6/h2-6H,1H3;6H,1H2
InChIKeyJYQFMNFAKLCLHZ-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.54
Rot. Bonds

About toluene;2,2,2-trifluoroethanol

toluene;2,2,2-trifluoroethanol (PubChem CID 67743203) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is toluene;2,2,2-trifluoroethanol.

Molecular Properties

Compound Nametoluene;2,2,2-trifluoroethanol
PubChem CID67743203
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Nametoluene;2,2,2-trifluoroethanol
SMILESCc1ccccc1.OCC(F)(F)F
InChIInChI=1S/C7H8.C2H3F3O/c1-7-5-3-2-4-6-7;3-2(4,5)1-6/h2-6H,1H3;6H,1H2
InChIKeyJYQFMNFAKLCLHZ-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of toluene;2,2,2-trifluoroethanol?
The IUPAC name of toluene;2,2,2-trifluoroethanol (CID 67743203) is toluene;2,2,2-trifluoroethanol.
What is the SMILES notation for toluene;2,2,2-trifluoroethanol?
The canonical SMILES for toluene;2,2,2-trifluoroethanol is Cc1ccccc1.OCC(F)(F)F.
What is the InChIKey of toluene;2,2,2-trifluoroethanol?
The InChIKey is JYQFMNFAKLCLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C2H3F3O/c1-7-5-3-2-4-6-7;3-2(4,5)1-6/h2-6H,1H3;6H,1H2.
What are the key properties of toluene;2,2,2-trifluoroethanol?
toluene;2,2,2-trifluoroethanol has a molecular weight of 192.18 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for toluene;2,2,2-trifluoroethanol is sourced from PubChem (CID 67743203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).