2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol

C15H11ClF4O2 — CID 67774277

IUPAC2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol
SMILESOCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H11ClF4O2/c16-12-3-2-10(8-11(12)15(18,19)20)22-14-4-1-9(5-6-21)7-13(14)17/h1-4,7-8,21H,5-6H2
InChIKeyQSDIEAQACFKDOU-UHFFFAOYSA-N
MW334.70 g/mol
LogP4.82
Rot. Bonds4

About 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol

2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol (PubChem CID 67774277) has the molecular formula C15H11ClF4O2 and a molecular weight of 334.70 g/mol. Its IUPAC name is 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol
PubChem CID67774277
Molecular FormulaC15H11ClF4O2
Molecular Weight334.70 g/mol
Exact Mass334.04
IUPAC Name2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol
SMILESOCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H11ClF4O2/c16-12-3-2-10(8-11(12)15(18,19)20)22-14-4-1-9(5-6-21)7-13(14)17/h1-4,7-8,21H,5-6H2
InChIKeyQSDIEAQACFKDOU-UHFFFAOYSA-N
XLogP4.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.70
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol?
The IUPAC name of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol (CID 67774277) is 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol.
What is the SMILES notation for 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol?
The canonical SMILES for 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol is OCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol?
The InChIKey is QSDIEAQACFKDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4O2/c16-12-3-2-10(8-11(12)15(18,19)20)22-14-4-1-9(5-6-21)7-13(14)17/h1-4,7-8,21H,5-6H2.
What are the key properties of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol?
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol has a molecular weight of 334.70 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethanol is sourced from PubChem (CID 67774277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).