1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene

C16H15F3O2 — CID 154974875

IUPAC1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(Oc2ccccc2)c(OC(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-11(2)12-8-9-14(15(10-12)21-16(17,18)19)20-13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyREPVWANIQKXHNQ-UHFFFAOYSA-N
MW296.29 g/mol
LogP5.50
Rot. Bonds4

About 1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene

1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene (PubChem CID 154974875) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene
PubChem CID154974875
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(Oc2ccccc2)c(OC(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-11(2)12-8-9-14(15(10-12)21-16(17,18)19)20-13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyREPVWANIQKXHNQ-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

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene (CID 154974875) is 1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene is CC(C)c1ccc(Oc2ccccc2)c(OC(F)(F)F)c1.
What is the InChIKey of 1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene?
The InChIKey is REPVWANIQKXHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c1-11(2)12-8-9-14(15(10-12)21-16(17,18)19)20-13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene?
1-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)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-phenoxy-4-propan-2-yl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 154974875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).