(Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile

C16H9F4N — CID 102526146

IUPAC(Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile
SMILESC/C(C#N)=C(\c1ccccc1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C16H9F4N/c1-9(8-21)13(10-5-3-2-4-6-10)11-7-12(17)15(19)16(20)14(11)18/h2-7H,1H3/b13-9-
InChIKeyGFZOSCWFCVYSCJ-LCYFTJDESA-N
MW291.25 g/mol
LogP4.59
Rot. Bonds2

About (Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile

(Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile (PubChem CID 102526146) has the molecular formula C16H9F4N and a molecular weight of 291.25 g/mol. Its IUPAC name is (Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile
PubChem CID102526146
Molecular FormulaC16H9F4N
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name(Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile
SMILESC/C(C#N)=C(\c1ccccc1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C16H9F4N/c1-9(8-21)13(10-5-3-2-4-6-10)11-7-12(17)15(19)16(20)14(11)18/h2-7H,1H3/b13-9-
InChIKeyGFZOSCWFCVYSCJ-LCYFTJDESA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile (CID 102526146) is (Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile is C/C(C#N)=C(\c1ccccc1)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of (Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile?
The InChIKey is GFZOSCWFCVYSCJ-LCYFTJDESA-N. The full InChI is InChI=1S/C16H9F4N/c1-9(8-21)13(10-5-3-2-4-6-10)11-7-12(17)15(19)16(20)14(11)18/h2-7H,1H3/b13-9-.
What are the key properties of (Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile?
(Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile has a molecular weight of 291.25 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-phenyl-3-(2,3,4,5-tetrafluorophenyl)prop-2-enenitrile is sourced from PubChem (CID 102526146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).