4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline

C14H11ClFN — CID 11032208

IUPAC4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline
SMILESC=C(c1cc(Cl)ccc1N)c1ccccc1F
InChIInChI=1S/C14H11ClFN/c1-9(11-4-2-3-5-13(11)16)12-8-10(15)6-7-14(12)17/h2-8H,1,17H2
InChIKeyRIRGDVYHIIGNGU-UHFFFAOYSA-N
MW247.70 g/mol
LogP4.12
Rot. Bonds2

About 4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline

4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline (PubChem CID 11032208) has the molecular formula C14H11ClFN and a molecular weight of 247.70 g/mol. Its IUPAC name is 4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline
PubChem CID11032208
Molecular FormulaC14H11ClFN
Molecular Weight247.70 g/mol
Exact Mass247.06
IUPAC Name4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline
SMILESC=C(c1cc(Cl)ccc1N)c1ccccc1F
InChIInChI=1S/C14H11ClFN/c1-9(11-4-2-3-5-13(11)16)12-8-10(15)6-7-14(12)17/h2-8H,1,17H2
InChIKeyRIRGDVYHIIGNGU-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline?
The IUPAC name of 4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline (CID 11032208) is 4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline.
What is the SMILES notation for 4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline?
The canonical SMILES for 4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline is C=C(c1cc(Cl)ccc1N)c1ccccc1F.
What is the InChIKey of 4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline?
The InChIKey is RIRGDVYHIIGNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN/c1-9(11-4-2-3-5-13(11)16)12-8-10(15)6-7-14(12)17/h2-8H,1,17H2.
What are the key properties of 4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline?
4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline has a molecular weight of 247.70 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(2-fluorophenyl)ethenyl]aniline is sourced from PubChem (CID 11032208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).