1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol

C10H10ClF3O2 — CID 62073561

IUPAC1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C10H10ClF3O2/c1-6(15)8-4-7(11)2-3-9(8)16-5-10(12,13)14/h2-4,6,15H,5H2,1H3
InChIKeyAMVZCXKQMQAVIX-UHFFFAOYSA-N
MW254.63 g/mol
LogP3.33
Rot. Bonds3

About 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol

1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol (PubChem CID 62073561) has the molecular formula C10H10ClF3O2 and a molecular weight of 254.63 g/mol. Its IUPAC name is 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
PubChem CID62073561
Molecular FormulaC10H10ClF3O2
Molecular Weight254.63 g/mol
Exact Mass254.03
IUPAC Name1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C10H10ClF3O2/c1-6(15)8-4-7(11)2-3-9(8)16-5-10(12,13)14/h2-4,6,15H,5H2,1H3
InChIKeyAMVZCXKQMQAVIX-UHFFFAOYSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol?
The IUPAC name of 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol (CID 62073561) is 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol is CC(O)c1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol?
The InChIKey is AMVZCXKQMQAVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O2/c1-6(15)8-4-7(11)2-3-9(8)16-5-10(12,13)14/h2-4,6,15H,5H2,1H3.
What are the key properties of 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol?
1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol has a molecular weight of 254.63 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]ethanol is sourced from PubChem (CID 62073561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).