1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene

C26H16F6O — CID 142787014

IUPAC1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene
SMILESFc1cccc(C(OC(c2cccc(F)c2)c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C26H16F6O/c27-19-5-1-3-15(7-19)25(17-9-21(29)13-22(30)10-17)33-26(16-4-2-6-20(28)8-16)18-11-23(31)14-24(32)12-18/h1-14,25-26H
InChIKeyGHDKGNCLHPVOBQ-UHFFFAOYSA-N
MW458.40 g/mol
LogP7.42
Rot. Bonds6

About 1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene

1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene (PubChem CID 142787014) has the molecular formula C26H16F6O and a molecular weight of 458.40 g/mol. Its IUPAC name is 1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene.

Molecular Properties

Compound Name1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene
PubChem CID142787014
Molecular FormulaC26H16F6O
Molecular Weight458.40 g/mol
Exact Mass458.11
IUPAC Name1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene
SMILESFc1cccc(C(OC(c2cccc(F)c2)c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C26H16F6O/c27-19-5-1-3-15(7-19)25(17-9-21(29)13-22(30)10-17)33-26(16-4-2-6-20(28)8-16)18-11-23(31)14-24(32)12-18/h1-14,25-26H
InChIKeyGHDKGNCLHPVOBQ-UHFFFAOYSA-N
XLogP7.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.40
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene with MolForge

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Related Compounds

(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670
1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588
(3-fluorophenyl)-methoxymethanamine
CID 116947347
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
1-fluoro-3-(2,2,2-trifluoro-1-isocyanoethyl)benzene
CID 84777048
[(3-fluorophenyl)-trimethylsilylmethyl]-trimethylsilane
CID 23235532
(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171245936
1,3-difluorobenzene;methanol
CID 144994633
(3,5-dibromophenyl)-(3-fluorophenyl)methanol
CID 107978141
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
1-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorobenzene
CID 168850046

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene?
The IUPAC name of 1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene (CID 142787014) is 1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene.
What is the SMILES notation for 1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene?
The canonical SMILES for 1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene is Fc1cccc(C(OC(c2cccc(F)c2)c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene?
The InChIKey is GHDKGNCLHPVOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F6O/c27-19-5-1-3-15(7-19)25(17-9-21(29)13-22(30)10-17)33-26(16-4-2-6-20(28)8-16)18-11-23(31)14-24(32)12-18/h1-14,25-26H.
What are the key properties of 1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene?
1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene has a molecular weight of 458.40 g/mol, XLogP of 7.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene is sourced from PubChem (CID 142787014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).