2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile

C17H16FNO — CID 107882225

IUPAC2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile
SMILESCCCc1ccc(OCc2ccc(F)c(C#N)c2)cc1
InChIInChI=1S/C17H16FNO/c1-2-3-13-4-7-16(8-5-13)20-12-14-6-9-17(18)15(10-14)11-19/h4-10H,2-3,12H2,1H3
InChIKeySISDHLRUJSGRRQ-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.23
Rot. Bonds5

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

2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile (PubChem CID 107882225) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile
PubChem CID107882225
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile
SMILESCCCc1ccc(OCc2ccc(F)c(C#N)c2)cc1
InChIInChI=1S/C17H16FNO/c1-2-3-13-4-7-16(8-5-13)20-12-14-6-9-17(18)15(10-14)11-19/h4-10H,2-3,12H2,1H3
InChIKeySISDHLRUJSGRRQ-UHFFFAOYSA-N
XLogP4.23
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-acetylphenoxy)methyl]-2-fluorobenzonitrile
CID 103758764
2-fluoro-5-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]benzonitrile
CID 107882405
2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile
CID 106788610
methyl 4-[(3-cyano-4-fluorophenyl)methoxy]benzoate
CID 103758781
[2-fluoro-5-[(4-propylphenoxy)methyl]phenyl]boronic acid
CID 62548043
4-[(3-cyano-4-fluorophenyl)methoxy]benzamide
CID 103758758
[4-[(3-cyano-4-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
CID 107882715
5-[[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]methyl]-2-fluorobenzonitrile
CID 107880004
5-[(1-ethylpyrazol-4-yl)oxymethyl]-2-fluorobenzonitrile
CID 114013035
2-fluoro-5-[(3-methyl-4-nitrophenoxy)methyl]benzonitrile
CID 103758838
5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 103793487
2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103758922

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile (CID 107882225) is 2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile is CCCc1ccc(OCc2ccc(F)c(C#N)c2)cc1.
What is the InChIKey of 2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile?
The InChIKey is SISDHLRUJSGRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-2-3-13-4-7-16(8-5-13)20-12-14-6-9-17(18)15(10-14)11-19/h4-10H,2-3,12H2,1H3.
What are the key properties of 2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile?
2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile has a molecular weight of 269.32 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile is sourced from PubChem (CID 107882225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).