2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene

C28H24F2O — CID 57234743

IUPAC2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene
SMILESFc1ccc(COCc2ccc(F)c(Cc3ccccc3)c2)cc1Cc1ccccc1
InChIInChI=1S/C28H24F2O/c29-27-13-11-23(17-25(27)15-21-7-3-1-4-8-21)19-31-20-24-12-14-28(30)26(18-24)16-22-9-5-2-6-10-22/h1-14,17-18H,15-16,19-20H2
InChIKeyVWNNEKGOJXYFAQ-UHFFFAOYSA-N
MW414.50 g/mol
LogP6.86
Rot. Bonds8

About 2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene

2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene (PubChem CID 57234743) has the molecular formula C28H24F2O and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene
PubChem CID57234743
Molecular FormulaC28H24F2O
Molecular Weight414.50 g/mol
Exact Mass414.18
IUPAC Name2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene
SMILESFc1ccc(COCc2ccc(F)c(Cc3ccccc3)c2)cc1Cc1ccccc1
InChIInChI=1S/C28H24F2O/c29-27-13-11-23(17-25(27)15-21-7-3-1-4-8-21)19-31-20-24-12-14-28(30)26(18-24)16-22-9-5-2-6-10-22/h1-14,17-18H,15-16,19-20H2
InChIKeyVWNNEKGOJXYFAQ-UHFFFAOYSA-N
XLogP6.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
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CID 107879069
4-fluoro-3-(phenylmethoxymethyl)benzenecarbothioamide
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CID 66734377
N-[[3-[(3-chlorophenyl)methoxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457759
2-benzyl-4-[(5-benzylfuran-3-yl)methoxymethyl]furan
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N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
ethane;phenylmethoxymethylbenzene
CID 90943549
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
2-[3,5-dibenzyl-4-[(4-chlorophenyl)methoxy]phenyl]acetic acid
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7-[(2-fluorophenyl)methoxymethyl]isoquinoline
CID 67075433

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene?
The IUPAC name of 2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene (CID 57234743) is 2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene.
What is the SMILES notation for 2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene?
The canonical SMILES for 2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene is Fc1ccc(COCc2ccc(F)c(Cc3ccccc3)c2)cc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene?
The InChIKey is VWNNEKGOJXYFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2O/c29-27-13-11-23(17-25(27)15-21-7-3-1-4-8-21)19-31-20-24-12-14-28(30)26(18-24)16-22-9-5-2-6-10-22/h1-14,17-18H,15-16,19-20H2.
What are the key properties of 2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene?
2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene has a molecular weight of 414.50 g/mol, XLogP of 6.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene is sourced from PubChem (CID 57234743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).