1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene

C16H12F6O3 — CID 91163693

IUPAC1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene
SMILESFC(F)(F)Oc1ccc(COCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H12F6O3/c17-15(18,19)24-13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)25-16(20,21)22/h1-8H,9-10H2
InChIKeyDBTFRDXMEXAPJJ-UHFFFAOYSA-N
MW366.26 g/mol
LogP5.20
Rot. Bonds6

About 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene

1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene (PubChem CID 91163693) has the molecular formula C16H12F6O3 and a molecular weight of 366.26 g/mol. Its IUPAC name is 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene
PubChem CID91163693
Molecular FormulaC16H12F6O3
Molecular Weight366.26 g/mol
Exact Mass366.07
IUPAC Name1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene
SMILESFC(F)(F)Oc1ccc(COCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H12F6O3/c17-15(18,19)24-13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)25-16(20,21)22/h1-8H,9-10H2
InChIKeyDBTFRDXMEXAPJJ-UHFFFAOYSA-N
XLogP5.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.26
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene?
The IUPAC name of 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene (CID 91163693) is 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene.
What is the SMILES notation for 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene?
The canonical SMILES for 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene is FC(F)(F)Oc1ccc(COCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene?
The InChIKey is DBTFRDXMEXAPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6O3/c17-15(18,19)24-13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)25-16(20,21)22/h1-8H,9-10H2.
What are the key properties of 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene?
1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene has a molecular weight of 366.26 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methoxymethyl]benzene is sourced from PubChem (CID 91163693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).