2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile

C16H9F4N — CID 3979739

IUPAC2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESN#CC(=Cc1ccc(C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C16H9F4N/c17-15-4-2-1-3-14(15)12(10-21)9-11-5-7-13(8-6-11)16(18,19)20/h1-9H
InChIKeyZEEHHNILBVDKLM-UHFFFAOYSA-N
MW291.25 g/mol
LogP4.91
Rot. Bonds2

About 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile

2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile (PubChem CID 3979739) has the molecular formula C16H9F4N and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
PubChem CID3979739
Molecular FormulaC16H9F4N
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESN#CC(=Cc1ccc(C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C16H9F4N/c17-15-4-2-1-3-14(15)12(10-21)9-11-5-7-13(8-6-11)16(18,19)20/h1-9H
InChIKeyZEEHHNILBVDKLM-UHFFFAOYSA-N
XLogP4.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile
CID 5234959
(Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
CID 853953
(E)-2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 2219144
2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 974306
2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 2795844
(E)-2-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]prop-2-enenitrile
CID 124549591
[4-[(E)-2-cyano-2-(2-fluorophenyl)ethenyl]phenyl] 2-methylpropanoate
CID 39114036
2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 696764
[4-[(E)-2-cyano-2-(2-fluorophenyl)ethenyl]phenyl] 2,2-diphenylacetate
CID 39114064
(E)-2-(1,3-benzothiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 5348790
[4-[(E)-2-cyano-2-(2-fluorophenyl)ethenyl]phenyl] 2-phenoxyacetate
CID 39114076
(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 57261811

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile?
The IUPAC name of 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile (CID 3979739) is 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile?
The canonical SMILES for 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile is N#CC(=Cc1ccc(C(F)(F)F)cc1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile?
The InChIKey is ZEEHHNILBVDKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N/c17-15-4-2-1-3-14(15)12(10-21)9-11-5-7-13(8-6-11)16(18,19)20/h1-9H.
What are the key properties of 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile?
2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile has a molecular weight of 291.25 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile is sourced from PubChem (CID 3979739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).