2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile

C15H12FNO2 — CID 43609128

IUPAC2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile
SMILESCC(O)c1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C15H12FNO2/c1-10(18)11-5-7-12(8-6-11)19-15-4-2-3-14(16)13(15)9-17/h2-8,10,18H,1H3
InChIKeyNFJLCPAZBAVSNV-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.54
Rot. Bonds3

About 2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile

2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile (PubChem CID 43609128) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile
PubChem CID43609128
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile
SMILESCC(O)c1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C15H12FNO2/c1-10(18)11-5-7-12(8-6-11)19-15-4-2-3-14(16)13(15)9-17/h2-8,10,18H,1H3
InChIKeyNFJLCPAZBAVSNV-UHFFFAOYSA-N
XLogP3.54
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 63372522
2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 43609103
2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
CID 154966368
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-(4-ethylphenoxy)-6-fluorobenzonitrile
CID 52855348
2-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43506326
3-fluoro-4-[4-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 107666062
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941631
1-[2-fluoro-6-(4-fluorophenoxy)phenyl]ethanol
CID 43506471

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile (CID 43609128) is 2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile is CC(O)c1ccc(Oc2cccc(F)c2C#N)cc1.
What is the InChIKey of 2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile?
The InChIKey is NFJLCPAZBAVSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-10(18)11-5-7-12(8-6-11)19-15-4-2-3-14(16)13(15)9-17/h2-8,10,18H,1H3.
What are the key properties of 2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile?
2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile has a molecular weight of 257.26 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile is sourced from PubChem (CID 43609128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).