4-(4-ethenyl-2-fluorophenyl)aniline

C14H12FN — CID 174631918

IUPAC4-(4-ethenyl-2-fluorophenyl)aniline
SMILESC=Cc1ccc(-c2ccc(N)cc2)c(F)c1
InChIInChI=1S/C14H12FN/c1-2-10-3-8-13(14(15)9-10)11-4-6-12(16)7-5-11/h2-9H,1,16H2
InChIKeyBSJQCDYNDFIXAJ-UHFFFAOYSA-N
MW213.25 g/mol
LogP3.72
Rot. Bonds2

About 4-(4-ethenyl-2-fluorophenyl)aniline

4-(4-ethenyl-2-fluorophenyl)aniline (PubChem CID 174631918) has the molecular formula C14H12FN and a molecular weight of 213.25 g/mol. Its IUPAC name is 4-(4-ethenyl-2-fluorophenyl)aniline.

Molecular Properties

Compound Name4-(4-ethenyl-2-fluorophenyl)aniline
PubChem CID174631918
Molecular FormulaC14H12FN
Molecular Weight213.25 g/mol
Exact Mass213.10
IUPAC Name4-(4-ethenyl-2-fluorophenyl)aniline
SMILESC=Cc1ccc(-c2ccc(N)cc2)c(F)c1
InChIInChI=1S/C14H12FN/c1-2-10-3-8-13(14(15)9-10)11-4-6-12(16)7-5-11/h2-9H,1,16H2
InChIKeyBSJQCDYNDFIXAJ-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 53.72
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

4-(4-aminophenyl)-3-(4-ethenylphenyl)aniline
CID 139434275
1-(4-ethenylphenyl)-2,4,5-trifluorobenzene
CID 44623494
6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847194
4-ethenylaniline;hydroiodide
CID 175384899
4-(4-ethenylphenyl)-2-fluoro-1-(3-fluoro-4-iodophenyl)benzene
CID 89129145
4-ethenylbenzene-1,2-diamine
CID 18400401
4-(4-aminophenyl)-3-fluorobenzoic acid
CID 166791377
1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene
CID 126584325
4-(2,3,4-trifluorophenyl)aniline
CID 62965800
(4-ethenyl-2-fluorophenyl)phosphane
CID 170020798
4-ethenyl-2-fluoro-1-methylbenzene
CID 20708999
4-[4-(4-ethenylphenyl)phenyl]-1,2-difluorobenzene
CID 171595464

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenyl-2-fluorophenyl)aniline?
The IUPAC name of 4-(4-ethenyl-2-fluorophenyl)aniline (CID 174631918) is 4-(4-ethenyl-2-fluorophenyl)aniline.
What is the SMILES notation for 4-(4-ethenyl-2-fluorophenyl)aniline?
The canonical SMILES for 4-(4-ethenyl-2-fluorophenyl)aniline is C=Cc1ccc(-c2ccc(N)cc2)c(F)c1.
What is the InChIKey of 4-(4-ethenyl-2-fluorophenyl)aniline?
The InChIKey is BSJQCDYNDFIXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN/c1-2-10-3-8-13(14(15)9-10)11-4-6-12(16)7-5-11/h2-9H,1,16H2.
What are the key properties of 4-(4-ethenyl-2-fluorophenyl)aniline?
4-(4-ethenyl-2-fluorophenyl)aniline has a molecular weight of 213.25 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenyl-2-fluorophenyl)aniline is sourced from PubChem (CID 174631918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).