1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene

C15H10FN — CID 122188173

IUPAC1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene
SMILES[C-]#[N+]c1ccccc1/C=C/c1ccc(F)cc1
InChIInChI=1S/C15H10FN/c1-17-15-5-3-2-4-13(15)9-6-12-7-10-14(16)11-8-12/h2-11H/b9-6+
InChIKeyOTPBZYDFNQVMIG-RMKNXTFCSA-N
MW223.25 g/mol
LogP4.55
Rot. Bonds2

About 1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene

1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene (PubChem CID 122188173) has the molecular formula C15H10FN and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene
PubChem CID122188173
Molecular FormulaC15H10FN
Molecular Weight223.25 g/mol
Exact Mass223.08
IUPAC Name1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene
SMILES[C-]#[N+]c1ccccc1/C=C/c1ccc(F)cc1
InChIInChI=1S/C15H10FN/c1-17-15-5-3-2-4-13(15)9-6-12-7-10-14(16)11-8-12/h2-11H/b9-6+
InChIKeyOTPBZYDFNQVMIG-RMKNXTFCSA-N
XLogP4.55
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-Aminobiphenyl
CID 7015
4'-Fluoro(1,1'-biphenyl)-4-amine
CID 9462
3,4,5-Trifluoro-2'-aminobiphenyl
CID 44249263
2,2'-Biphenyldiamine
CID 15075
2-(2-Phenylethynyl)aniline
CID 1211370
4,4'-Diaminostilbene
CID 5284646
2-Biphenylamine hydrochloride
CID 5284347
2-(4-Aminobenzyl)aniline
CID 14580
4-Fluoro-2-(trifluoromethyl)aniline
CID 67853
2-Benzylaniline
CID 119805
3-Fluoro-2-methylaniline
CID 285553
4-Aminostilbene
CID 1272788

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene (CID 122188173) is 1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene is [C-]#[N+]c1ccccc1/C=C/c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene?
The InChIKey is OTPBZYDFNQVMIG-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H10FN/c1-17-15-5-3-2-4-13(15)9-6-12-7-10-14(16)11-8-12/h2-11H/b9-6+.
What are the key properties of 1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene?
1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene has a molecular weight of 223.25 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-2-(2-isocyanophenyl)ethenyl]benzene is sourced from PubChem (CID 122188173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).