2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane

C12H12ClF3O2 — CID 11312042

IUPAC2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane
SMILESFC(F)(F)c1ccc(OC2CCCCO2)c(Cl)c1
InChIInChI=1S/C12H12ClF3O2/c13-9-7-8(12(14,15)16)4-5-10(9)18-11-3-1-2-6-17-11/h4-5,7,11H,1-3,6H2
InChIKeyRFHPVPXRWIJXKP-UHFFFAOYSA-N
MW280.67 g/mol
LogP4.26
Rot. Bonds2

About 2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane

2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane (PubChem CID 11312042) has the molecular formula C12H12ClF3O2 and a molecular weight of 280.67 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane
PubChem CID11312042
Molecular FormulaC12H12ClF3O2
Molecular Weight280.67 g/mol
Exact Mass280.05
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane
SMILESFC(F)(F)c1ccc(OC2CCCCO2)c(Cl)c1
InChIInChI=1S/C12H12ClF3O2/c13-9-7-8(12(14,15)16)4-5-10(9)18-11-3-1-2-6-17-11/h4-5,7,11H,1-3,6H2
InChIKeyRFHPVPXRWIJXKP-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane (CID 11312042) is 2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane is FC(F)(F)c1ccc(OC2CCCCO2)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane?
The InChIKey is RFHPVPXRWIJXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3O2/c13-9-7-8(12(14,15)16)4-5-10(9)18-11-3-1-2-6-17-11/h4-5,7,11H,1-3,6H2.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane?
2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane has a molecular weight of 280.67 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenoxy]oxane is sourced from PubChem (CID 11312042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).