1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene

C15H10F6O2 — CID 87763466

IUPAC1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
SMILESFC(F)(F)Oc1cccc(Cc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H10F6O2/c16-14(17,18)22-12-5-1-3-10(8-12)7-11-4-2-6-13(9-11)23-15(19,20)21/h1-6,8-9H,7H2
InChIKeyKWJBYFMRVVPBIO-UHFFFAOYSA-N
MW336.23 g/mol
LogP5.07
Rot. Bonds4

About 1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene

1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene (PubChem CID 87763466) has the molecular formula C15H10F6O2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
PubChem CID87763466
Molecular FormulaC15H10F6O2
Molecular Weight336.23 g/mol
Exact Mass336.06
IUPAC Name1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
SMILESFC(F)(F)Oc1cccc(Cc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H10F6O2/c16-14(17,18)22-12-5-1-3-10(8-12)7-11-4-2-6-13(9-11)23-15(19,20)21/h1-6,8-9H,7H2
InChIKeyKWJBYFMRVVPBIO-UHFFFAOYSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.23
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methanidyl-[[3-(trifluoromethoxy)phenyl]methyl]azanium
CID 20723524
methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
CID 142185562
2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 517906
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
1,5-bis[3-(trifluoromethoxy)phenyl]pentan-3-one
CID 150145529
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole
CID 123620380
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
1-(3-chlorobutyl)-3-(trifluoromethoxy)benzene
CID 64515626

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene?
The IUPAC name of 1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene (CID 87763466) is 1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene.
What is the SMILES notation for 1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene?
The canonical SMILES for 1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene is FC(F)(F)Oc1cccc(Cc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene?
The InChIKey is KWJBYFMRVVPBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6O2/c16-14(17,18)22-12-5-1-3-10(8-12)7-11-4-2-6-13(9-11)23-15(19,20)21/h1-6,8-9H,7H2.
What are the key properties of 1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene?
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene has a molecular weight of 336.23 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene is sourced from PubChem (CID 87763466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).