anisole;trihydrofluoride

C14H19F3O2 — CID 174796385

IUPACanisole;trihydrofluoride
SMILESCOc1ccccc1.COc1ccccc1.F.F.F
InChIInChI=1S/2C7H8O.3FH/c2*1-8-7-5-3-2-4-6-7;;;/h2*2-6H,1H3;3*1H
InChIKeyXLNLQYKHALPBHN-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.85
Rot. Bonds2

About anisole;trihydrofluoride

anisole;trihydrofluoride (PubChem CID 174796385) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is anisole;trihydrofluoride.

Molecular Properties

Compound Nameanisole;trihydrofluoride
PubChem CID174796385
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Nameanisole;trihydrofluoride
SMILESCOc1ccccc1.COc1ccccc1.F.F.F
InChIInChI=1S/2C7H8O.3FH/c2*1-8-7-5-3-2-4-6-7;;;/h2*2-6H,1H3;3*1H
InChIKeyXLNLQYKHALPBHN-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of anisole;trihydrofluoride?
The IUPAC name of anisole;trihydrofluoride (CID 174796385) is anisole;trihydrofluoride.
What is the SMILES notation for anisole;trihydrofluoride?
The canonical SMILES for anisole;trihydrofluoride is COc1ccccc1.COc1ccccc1.F.F.F.
What is the InChIKey of anisole;trihydrofluoride?
The InChIKey is XLNLQYKHALPBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O.3FH/c2*1-8-7-5-3-2-4-6-7;;;/h2*2-6H,1H3;3*1H.
What are the key properties of anisole;trihydrofluoride?
anisole;trihydrofluoride has a molecular weight of 276.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;trihydrofluoride is sourced from PubChem (CID 174796385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).