4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline

C20H16FN — CID 142435968

IUPAC4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline
SMILESC=C(c1ccccc1)c1ccc(-c2cc(F)ccc2N)cc1
InChIInChI=1S/C20H16FN/c1-14(15-5-3-2-4-6-15)16-7-9-17(10-8-16)19-13-18(21)11-12-20(19)22/h2-13H,1,22H2
InChIKeyZIWCGIVPQQJELB-UHFFFAOYSA-N
MW289.35 g/mol
LogP5.14
Rot. Bonds3

About 4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline

4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline (PubChem CID 142435968) has the molecular formula C20H16FN and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline
PubChem CID142435968
Molecular FormulaC20H16FN
Molecular Weight289.35 g/mol
Exact Mass289.13
IUPAC Name4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline
SMILESC=C(c1ccccc1)c1ccc(-c2cc(F)ccc2N)cc1
InChIInChI=1S/C20H16FN/c1-14(15-5-3-2-4-6-15)16-7-9-17(10-8-16)19-13-18(21)11-12-20(19)22/h2-13H,1,22H2
InChIKeyZIWCGIVPQQJELB-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.35
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline?
The IUPAC name of 4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline (CID 142435968) is 4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline.
What is the SMILES notation for 4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline?
The canonical SMILES for 4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline is C=C(c1ccccc1)c1ccc(-c2cc(F)ccc2N)cc1.
What is the InChIKey of 4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline?
The InChIKey is ZIWCGIVPQQJELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN/c1-14(15-5-3-2-4-6-15)16-7-9-17(10-8-16)19-13-18(21)11-12-20(19)22/h2-13H,1,22H2.
What are the key properties of 4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline?
4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline has a molecular weight of 289.35 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-(1-phenylethenyl)phenyl]aniline is sourced from PubChem (CID 142435968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).