1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene

C20H16F2O — CID 141193012

IUPAC1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene
SMILESFc1cccc(COc2ccccc2Cc2cccc(F)c2)c1
InChIInChI=1S/C20H16F2O/c21-18-8-3-5-15(12-18)11-17-7-1-2-10-20(17)23-14-16-6-4-9-19(22)13-16/h1-10,12-13H,11,14H2
InChIKeyDKKLURZWWAXKOU-UHFFFAOYSA-N
MW310.34 g/mol
LogP5.13
Rot. Bonds5

About 1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene

1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene (PubChem CID 141193012) has the molecular formula C20H16F2O and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene
PubChem CID141193012
Molecular FormulaC20H16F2O
Molecular Weight310.34 g/mol
Exact Mass310.12
IUPAC Name1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene
SMILESFc1cccc(COc2ccccc2Cc2cccc(F)c2)c1
InChIInChI=1S/C20H16F2O/c21-18-8-3-5-15(12-18)11-17-7-1-2-10-20(17)23-14-16-6-4-9-19(22)13-16/h1-10,12-13H,11,14H2
InChIKeyDKKLURZWWAXKOU-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.34
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 43141601
1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385379
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
CID 27225851
ethyl 2-amino-3-[2-[(3-fluorophenyl)methoxy]phenyl]propanoate
CID 170885850
2-[(3-fluorophenyl)methyl]aniline
CID 105453525
N-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868
[2-[(3-fluorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168529846
N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 798181
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608310
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene?
The IUPAC name of 1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene (CID 141193012) is 1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene.
What is the SMILES notation for 1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene?
The canonical SMILES for 1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene is Fc1cccc(COc2ccccc2Cc2cccc(F)c2)c1.
What is the InChIKey of 1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene?
The InChIKey is DKKLURZWWAXKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O/c21-18-8-3-5-15(12-18)11-17-7-1-2-10-20(17)23-14-16-6-4-9-19(22)13-16/h1-10,12-13H,11,14H2.
What are the key properties of 1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene?
1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene has a molecular weight of 310.34 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene is sourced from PubChem (CID 141193012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).