1-chloro-2-(2,2,2-trifluoroethoxy)benzene

C8H6ClF3O — CID 13004567

IUPAC1-chloro-2-(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1ccccc1Cl
InChIInChI=1S/C8H6ClF3O/c9-6-3-1-2-4-7(6)13-5-8(10,11)12/h1-4H,5H2
InChIKeyMZLKFHPDUDTJCJ-UHFFFAOYSA-N
MW210.58 g/mol
LogP3.28
Rot. Bonds2

About 1-chloro-2-(2,2,2-trifluoroethoxy)benzene

1-chloro-2-(2,2,2-trifluoroethoxy)benzene (PubChem CID 13004567) has the molecular formula C8H6ClF3O and a molecular weight of 210.58 g/mol. Its IUPAC name is 1-chloro-2-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-(2,2,2-trifluoroethoxy)benzene
PubChem CID13004567
Molecular FormulaC8H6ClF3O
Molecular Weight210.58 g/mol
Exact Mass210.01
IUPAC Name1-chloro-2-(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1ccccc1Cl
InChIInChI=1S/C8H6ClF3O/c9-6-3-1-2-4-7(6)13-5-8(10,11)12/h1-4H,5H2
InChIKeyMZLKFHPDUDTJCJ-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.58
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-chloro-2-(2,2,2-trifluoroethoxy)benzene (CID 13004567) is 1-chloro-2-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-chloro-2-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-chloro-2-(2,2,2-trifluoroethoxy)benzene is FC(F)(F)COc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is MZLKFHPDUDTJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O/c9-6-3-1-2-4-7(6)13-5-8(10,11)12/h1-4H,5H2.
What are the key properties of 1-chloro-2-(2,2,2-trifluoroethoxy)benzene?
1-chloro-2-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 210.58 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 13004567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).