[4-(2,2,2-trifluoroethoxy)phenyl]methanol

C9H9F3O2 — CID 24975876

IUPAC[4-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESOCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C9H9F3O2/c10-9(11,12)6-14-8-3-1-7(5-13)2-4-8/h1-4,13H,5-6H2
InChIKeyUPUNZBFRXMPBEE-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.12
Rot. Bonds3

About [4-(2,2,2-trifluoroethoxy)phenyl]methanol

[4-(2,2,2-trifluoroethoxy)phenyl]methanol (PubChem CID 24975876) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethoxy)phenyl]methanol
PubChem CID24975876
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name[4-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESOCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C9H9F3O2/c10-9(11,12)6-14-8-3-1-7(5-13)2-4-8/h1-4,13H,5-6H2
InChIKeyUPUNZBFRXMPBEE-UHFFFAOYSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethoxy)phenyl]methanol?
The IUPAC name of [4-(2,2,2-trifluoroethoxy)phenyl]methanol (CID 24975876) is [4-(2,2,2-trifluoroethoxy)phenyl]methanol.
What is the SMILES notation for [4-(2,2,2-trifluoroethoxy)phenyl]methanol?
The canonical SMILES for [4-(2,2,2-trifluoroethoxy)phenyl]methanol is OCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of [4-(2,2,2-trifluoroethoxy)phenyl]methanol?
The InChIKey is UPUNZBFRXMPBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c10-9(11,12)6-14-8-3-1-7(5-13)2-4-8/h1-4,13H,5-6H2.
What are the key properties of [4-(2,2,2-trifluoroethoxy)phenyl]methanol?
[4-(2,2,2-trifluoroethoxy)phenyl]methanol has a molecular weight of 206.16 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethoxy)phenyl]methanol is sourced from PubChem (CID 24975876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).