phenol;2,2,2-trifluoroethoxybenzene

C14H13F3O2 — CID 174967121

IUPACphenol;2,2,2-trifluoroethoxybenzene
SMILESFC(F)(F)COc1ccccc1.Oc1ccccc1
InChIInChI=1S/C8H7F3O.C6H6O/c9-8(10,11)6-12-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-5H,6H2;1-5,7H
InChIKeyPCHIKHFUERAGDU-UHFFFAOYSA-N
MW270.25 g/mol
LogP4.02
Rot. Bonds2

About phenol;2,2,2-trifluoroethoxybenzene

phenol;2,2,2-trifluoroethoxybenzene (PubChem CID 174967121) has the molecular formula C14H13F3O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is phenol;2,2,2-trifluoroethoxybenzene.

Molecular Properties

Compound Namephenol;2,2,2-trifluoroethoxybenzene
PubChem CID174967121
Molecular FormulaC14H13F3O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Namephenol;2,2,2-trifluoroethoxybenzene
SMILESFC(F)(F)COc1ccccc1.Oc1ccccc1
InChIInChI=1S/C8H7F3O.C6H6O/c9-8(10,11)6-12-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-5H,6H2;1-5,7H
InChIKeyPCHIKHFUERAGDU-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenol;2,2,2-trifluoroethoxybenzene?
The IUPAC name of phenol;2,2,2-trifluoroethoxybenzene (CID 174967121) is phenol;2,2,2-trifluoroethoxybenzene.
What is the SMILES notation for phenol;2,2,2-trifluoroethoxybenzene?
The canonical SMILES for phenol;2,2,2-trifluoroethoxybenzene is FC(F)(F)COc1ccccc1.Oc1ccccc1.
What is the InChIKey of phenol;2,2,2-trifluoroethoxybenzene?
The InChIKey is PCHIKHFUERAGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.C6H6O/c9-8(10,11)6-12-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-5H,6H2;1-5,7H.
What are the key properties of phenol;2,2,2-trifluoroethoxybenzene?
phenol;2,2,2-trifluoroethoxybenzene has a molecular weight of 270.25 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;2,2,2-trifluoroethoxybenzene is sourced from PubChem (CID 174967121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).