1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene

C16H15F3O2 — CID 175733827

IUPAC1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene
SMILESCC(C)c1cccc(Oc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-11(2)12-6-5-7-13(10-12)20-14-8-3-4-9-15(14)21-16(17,18)19/h3-11H,1-2H3
InChIKeyJUTQHHQUMJEBMG-UHFFFAOYSA-N
MW296.29 g/mol
LogP5.50
Rot. Bonds4

About 1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene

1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene (PubChem CID 175733827) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene
PubChem CID175733827
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene
SMILESCC(C)c1cccc(Oc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-11(2)12-6-5-7-13(10-12)20-14-8-3-4-9-15(14)21-16(17,18)19/h3-11H,1-2H3
InChIKeyJUTQHHQUMJEBMG-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.29
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene with MolForge

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

Launch Full Analysis

Related Compounds

1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene
CID 154974875
(1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol
CID 63372506
N-methyl-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43285337
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109317
ethane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 143418599
2-(bromomethyl)-1-fluoro-3-(3-propan-2-ylphenoxy)benzene
CID 114065527
ethane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene
CID 178128106
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
[3-[2-(trifluoromethoxy)phenoxy]phenyl] pentane-1-sulfonate
CID 20738786
2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene
CID 59987619
4-chloro-2-(chloromethyl)-1-(3-propan-2-ylphenoxy)benzene
CID 114846940

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene?
The IUPAC name of 1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene (CID 175733827) is 1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene.
What is the SMILES notation for 1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene?
The canonical SMILES for 1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene is CC(C)c1cccc(Oc2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene?
The InChIKey is JUTQHHQUMJEBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c1-11(2)12-6-5-7-13(10-12)20-14-8-3-4-9-15(14)21-16(17,18)19/h3-11H,1-2H3.
What are the key properties of 1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene?
1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene has a molecular weight of 296.29 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene is sourced from PubChem (CID 175733827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).