4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile

C16H11FN2O2 — CID 103792210

IUPAC4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCCOc2ccc(C#N)cc2F)cc1
InChIInChI=1S/C16H11FN2O2/c17-15-9-13(11-19)3-6-16(15)21-8-7-20-14-4-1-12(10-18)2-5-14/h1-6,9H,7-8H2
InChIKeyRHCDAVMXQDZLIR-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.03
Rot. Bonds5

About 4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile

4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile (PubChem CID 103792210) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
PubChem CID103792210
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCCOc2ccc(C#N)cc2F)cc1
InChIInChI=1S/C16H11FN2O2/c17-15-9-13(11-19)3-6-16(15)21-8-7-20-14-4-1-12(10-18)2-5-14/h1-6,9H,7-8H2
InChIKeyRHCDAVMXQDZLIR-UHFFFAOYSA-N
XLogP3.03
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-bromophenoxy)ethoxy]-3-fluorobenzonitrile
CID 107667700
4-[3-(4-cyanophenoxy)-2-hydroxypropoxy]-3-fluorobenzonitrile
CID 91646282
4-(9-bromononoxy)-3-fluorobenzonitrile
CID 107670352
3-fluoro-4-nonoxybenzonitrile
CID 107670423
3-[2-(2,4-difluorophenoxy)ethoxy]benzonitrile
CID 43289328
4-[3-[4-[3-(4-cyano-2-fluorophenoxy)propyl]piperazin-1-yl]propoxy]-3-fluorobenzonitrile
CID 67135650
3-fluoro-4-(2,2,2-trifluoroethoxy)benzonitrile
CID 14774191
4-(4-cyano-4-methylpentoxy)-3-fluorobenzonitrile
CID 103793542
3-fluoro-4-(2-phenylsulfanylethoxy)benzonitrile
CID 103924492
4-[3-(ethylamino)propoxy]-3-fluorobenzonitrile
CID 107667022
3-fluoro-4-(5-oxohexoxy)benzonitrile
CID 104891719
3-fluoro-4-[3-(propan-2-ylamino)propoxy]benzonitrile
CID 62348292

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile (CID 103792210) is 4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile is N#Cc1ccc(OCCOc2ccc(C#N)cc2F)cc1.
What is the InChIKey of 4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile?
The InChIKey is RHCDAVMXQDZLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-15-9-13(11-19)3-6-16(15)21-8-7-20-14-4-1-12(10-18)2-5-14/h1-6,9H,7-8H2.
What are the key properties of 4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile?
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile has a molecular weight of 282.27 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile is sourced from PubChem (CID 103792210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).