4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile

C17H11FN2O — CID 63691863

IUPAC4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2ccc(N)c3ccccc23)c(F)c1
InChIInChI=1S/C17H11FN2O/c18-14-9-11(10-19)5-7-17(14)21-16-8-6-15(20)12-3-1-2-4-13(12)16/h1-9H,20H2
InChIKeyCRRDFGOLSTTXIP-UHFFFAOYSA-N
MW278.29 g/mol
LogP4.23
Rot. Bonds2

About 4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile

4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile (PubChem CID 63691863) has the molecular formula C17H11FN2O and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile
PubChem CID63691863
Molecular FormulaC17H11FN2O
Molecular Weight278.29 g/mol
Exact Mass278.09
IUPAC Name4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2ccc(N)c3ccccc23)c(F)c1
InChIInChI=1S/C17H11FN2O/c18-14-9-11(10-19)5-7-17(14)21-16-8-6-15(20)12-3-1-2-4-13(12)16/h1-9H,20H2
InChIKeyCRRDFGOLSTTXIP-UHFFFAOYSA-N
XLogP4.23
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-diaminophenoxy)-3-fluorobenzonitrile
CID 107670075
4-(2-amino-3-methylphenoxy)-3-fluorobenzonitrile
CID 43657243
4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile
CID 107670079
3-fluoro-4-(2-methoxyphenoxy)benzonitrile
CID 43657455
4-(2-amino-5-bromo-4-fluorophenoxy)-3-fluorobenzonitrile
CID 107670129
4-(2-amino-4-nitrophenoxy)-3-fluorobenzonitrile
CID 107670147
4-amino-3-fluorobenzonitrile;methane
CID 174516091
3-amino-4-(4-bromo-2-fluorophenoxy)benzonitrile
CID 43518305
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile
CID 107669541
4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile
CID 43657436
4-[2-(1-aminopropyl)phenoxy]-3-fluorobenzonitrile
CID 107665508

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile?
The IUPAC name of 4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile (CID 63691863) is 4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile.
What is the SMILES notation for 4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile?
The canonical SMILES for 4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile is N#Cc1ccc(Oc2ccc(N)c3ccccc23)c(F)c1.
What is the InChIKey of 4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile?
The InChIKey is CRRDFGOLSTTXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O/c18-14-9-11(10-19)5-7-17(14)21-16-8-6-15(20)12-3-1-2-4-13(12)16/h1-9H,20H2.
What are the key properties of 4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile?
4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile has a molecular weight of 278.29 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile is sourced from PubChem (CID 63691863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).