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

C15H10FN — CID 122188174

IUPAC1-fluoro-2-[(E)-2-(2-isocyanophenyl)ethenyl]benzene
SMILES[C-]#[N+]c1ccccc1/C=C/c1ccccc1F
InChIInChI=1S/C15H10FN/c1-17-15-9-5-3-7-13(15)11-10-12-6-2-4-8-14(12)16/h2-11H/b11-10+
InChIKeyJIYNCBROWQKSQJ-ZHACJKMWSA-N
MW223.25 g/mol
LogP4.55
Rot. Bonds2

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

1-fluoro-2-[(E)-2-(2-isocyanophenyl)ethenyl]benzene (PubChem CID 122188174) has the molecular formula C15H10FN and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-fluoro-2-[(E)-2-(2-isocyanophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[(E)-2-(2-isocyanophenyl)ethenyl]benzene
PubChem CID122188174
Molecular FormulaC15H10FN
Molecular Weight223.25 g/mol
Exact Mass223.08
IUPAC Name1-fluoro-2-[(E)-2-(2-isocyanophenyl)ethenyl]benzene
SMILES[C-]#[N+]c1ccccc1/C=C/c1ccccc1F
InChIInChI=1S/C15H10FN/c1-17-15-9-5-3-7-13(15)11-10-12-6-2-4-8-14(12)16/h2-11H/b11-10+
InChIKeyJIYNCBROWQKSQJ-ZHACJKMWSA-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

1-isocyano-2-[(E)-2-(2-methylphenyl)ethenyl]benzene
CID 178076197
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 10036098
1,4-difluoro-2-[(E)-2-(2-fluorophenyl)ethenyl]benzene
CID 134146382
1-isocyano-2-[(E)-4-phenylbut-1-enyl]benzene
CID 101169425
potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide
CID 131232563
1-but-1-en-3-ynyl-2-fluorobenzene
CID 123247882
(E)-3-(2-fluorophenyl)prop-2-enenitrile
CID 11062531
3-(2-fluorophenyl)prop-2-ene-1-thiol
CID 169454551
5-[2-(2-fluorophenyl)ethenyl]-1H-pyrazole
CID 173291602
cyclobutane;2-[2-(2-fluorophenyl)ethenyl]pyridine
CID 175276966
4-[(E)-2-(2-fluorophenyl)ethenyl]pyridazine
CID 6327980

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(E)-2-(2-isocyanophenyl)ethenyl]benzene?
The IUPAC name of 1-fluoro-2-[(E)-2-(2-isocyanophenyl)ethenyl]benzene (CID 122188174) is 1-fluoro-2-[(E)-2-(2-isocyanophenyl)ethenyl]benzene.
What is the SMILES notation for 1-fluoro-2-[(E)-2-(2-isocyanophenyl)ethenyl]benzene?
The canonical SMILES for 1-fluoro-2-[(E)-2-(2-isocyanophenyl)ethenyl]benzene is [C-]#[N+]c1ccccc1/C=C/c1ccccc1F.
What is the InChIKey of 1-fluoro-2-[(E)-2-(2-isocyanophenyl)ethenyl]benzene?
The InChIKey is JIYNCBROWQKSQJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H10FN/c1-17-15-9-5-3-7-13(15)11-10-12-6-2-4-8-14(12)16/h2-11H/b11-10+.
What are the key properties of 1-fluoro-2-[(E)-2-(2-isocyanophenyl)ethenyl]benzene?
1-fluoro-2-[(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-2-[(E)-2-(2-isocyanophenyl)ethenyl]benzene is sourced from PubChem (CID 122188174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).