2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile

C16H14FNO2 — CID 107882155

IUPAC2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile
SMILESCOc1cccc(COCc2ccc(F)c(C#N)c2)c1
InChIInChI=1S/C16H14FNO2/c1-19-15-4-2-3-12(8-15)10-20-11-13-5-6-16(17)14(7-13)9-18/h2-8H,10-11H2,1H3
InChIKeyNXUBHYPNXTYWAW-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.42
Rot. Bonds5

About 2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile

2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile (PubChem CID 107882155) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile
PubChem CID107882155
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile
SMILESCOc1cccc(COCc2ccc(F)c(C#N)c2)c1
InChIInChI=1S/C16H14FNO2/c1-19-15-4-2-3-12(8-15)10-20-11-13-5-6-16(17)14(7-13)9-18/h2-8H,10-11H2,1H3
InChIKeyNXUBHYPNXTYWAW-UHFFFAOYSA-N
XLogP3.42
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 107882215
2-fluoro-5-[(2-formyl-4-methoxyphenoxy)methyl]benzonitrile
CID 103758787
2-methoxy-5-(phenylmethoxymethyl)benzonitrile
CID 65343797
5-[[3-[(1S)-1-aminoethyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107879536
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583
2-fluoro-4-[(3-methoxyphenyl)methylamino]benzonitrile
CID 115367213
(3-cyano-4-fluorophenyl)methyl 5-(4-methoxyphenyl)-3-oxopentanoate
CID 68848247
3-[(3-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80510175
3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile
CID 113269444
5-[[3-(2-aminoethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339062
1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
CID 88878889
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile (CID 107882155) is 2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile is COc1cccc(COCc2ccc(F)c(C#N)c2)c1.
What is the InChIKey of 2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile?
The InChIKey is NXUBHYPNXTYWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-19-15-4-2-3-12(8-15)10-20-11-13-5-6-16(17)14(7-13)9-18/h2-8H,10-11H2,1H3.
What are the key properties of 2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile?
2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile has a molecular weight of 271.29 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile is sourced from PubChem (CID 107882155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).