3-fluoro-4-(4-phenoxyphenyl)aniline

C18H14FNO — CID 65437775

IUPAC3-fluoro-4-(4-phenoxyphenyl)aniline
SMILESNc1ccc(-c2ccc(Oc3ccccc3)cc2)c(F)c1
InChIInChI=1S/C18H14FNO/c19-18-12-14(20)8-11-17(18)13-6-9-16(10-7-13)21-15-4-2-1-3-5-15/h1-12H,20H2
InChIKeyVCMLWVZTRXYPRT-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.87
Rot. Bonds3

About 3-fluoro-4-(4-phenoxyphenyl)aniline

3-fluoro-4-(4-phenoxyphenyl)aniline (PubChem CID 65437775) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-fluoro-4-(4-phenoxyphenyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(4-phenoxyphenyl)aniline
PubChem CID65437775
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name3-fluoro-4-(4-phenoxyphenyl)aniline
SMILESNc1ccc(-c2ccc(Oc3ccccc3)cc2)c(F)c1
InChIInChI=1S/C18H14FNO/c19-18-12-14(20)8-11-17(18)13-6-9-16(10-7-13)21-15-4-2-1-3-5-15/h1-12H,20H2
InChIKeyVCMLWVZTRXYPRT-UHFFFAOYSA-N
XLogP4.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-phenoxyphenyl)aniline?
The IUPAC name of 3-fluoro-4-(4-phenoxyphenyl)aniline (CID 65437775) is 3-fluoro-4-(4-phenoxyphenyl)aniline.
What is the SMILES notation for 3-fluoro-4-(4-phenoxyphenyl)aniline?
The canonical SMILES for 3-fluoro-4-(4-phenoxyphenyl)aniline is Nc1ccc(-c2ccc(Oc3ccccc3)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(4-phenoxyphenyl)aniline?
The InChIKey is VCMLWVZTRXYPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c19-18-12-14(20)8-11-17(18)13-6-9-16(10-7-13)21-15-4-2-1-3-5-15/h1-12H,20H2.
What are the key properties of 3-fluoro-4-(4-phenoxyphenyl)aniline?
3-fluoro-4-(4-phenoxyphenyl)aniline has a molecular weight of 279.31 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-phenoxyphenyl)aniline is sourced from PubChem (CID 65437775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).