2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile

C15H11F2NO2 — CID 107882495

IUPAC2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile
SMILESN#Cc1cc(COc2ccc(F)cc2CO)ccc1F
InChIInChI=1S/C15H11F2NO2/c16-13-2-4-15(12(6-13)8-19)20-9-10-1-3-14(17)11(5-10)7-18/h1-6,19H,8-9H2
InChIKeyLWDFDBVPTNZYTE-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.91
Rot. Bonds4

About 2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile

2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile (PubChem CID 107882495) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is 2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile
PubChem CID107882495
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile
SMILESN#Cc1cc(COc2ccc(F)cc2CO)ccc1F
InChIInChI=1S/C15H11F2NO2/c16-13-2-4-15(12(6-13)8-19)20-9-10-1-3-14(17)11(5-10)7-18/h1-6,19H,8-9H2
InChIKeyLWDFDBVPTNZYTE-UHFFFAOYSA-N
XLogP2.91
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2-fluorobenzonitrile
CID 107882586
5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 103793487
[5-fluoro-2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 107698416
[5-fluoro-2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 107698620
2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile
CID 107889224
[2-[(3-cyano-4-fluorophenyl)methoxy]phenyl]boronic acid
CID 107882689
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
2-fluoro-5-[[2-(hydroxymethyl)-6-methylphenoxy]methyl]benzonitrile
CID 107882453
2-[4-fluoro-2-(hydroxymethyl)phenoxy]acetonitrile
CID 107698327
2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103758922
2-fluoro-5-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 107882215
5-[(2,5-dimethylphenoxy)methyl]-2-fluorobenzonitrile
CID 103758788

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile (CID 107882495) is 2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile is N#Cc1cc(COc2ccc(F)cc2CO)ccc1F.
What is the InChIKey of 2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile?
The InChIKey is LWDFDBVPTNZYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c16-13-2-4-15(12(6-13)8-19)20-9-10-1-3-14(17)11(5-10)7-18/h1-6,19H,8-9H2.
What are the key properties of 2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile?
2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile has a molecular weight of 275.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile is sourced from PubChem (CID 107882495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).