2-[4-(trifluoromethyl)phenyl]ethanol

C9H9F3O — CID 11275510

IUPAC2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H9F3O/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4,13H,5-6H2
InChIKeySXMYWTQEZRZKBK-UHFFFAOYSA-N
MW190.16 g/mol
LogP2.24
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]ethanol

2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 11275510) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID11275510
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H9F3O/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4,13H,5-6H2
InChIKeySXMYWTQEZRZKBK-UHFFFAOYSA-N
XLogP2.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]ethanol (CID 11275510) is 2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]ethanol is OCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is SXMYWTQEZRZKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4,13H,5-6H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]ethanol?
2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 190.16 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 11275510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).