(Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile

C18H15F3N4 — CID 170147225

IUPAC(Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1cc(C(F)(F)F)ccc1/C=C/c1ccccc1
InChIInChI=1S/C18H15F3N4/c19-18(20,21)14-9-8-13(7-6-12-4-2-1-3-5-12)15(10-14)17(23)16(11-22)25-24/h1-10,25H,23-24H2/b7-6+,17-16-
InChIKeyFKTPIWVRPLCIBR-NGLZPYLXSA-N
MW344.34 g/mol
LogP3.49
Rot. Bonds4

About (Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile

(Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile (PubChem CID 170147225) has the molecular formula C18H15F3N4 and a molecular weight of 344.34 g/mol. Its IUPAC name is (Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile
PubChem CID170147225
Molecular FormulaC18H15F3N4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name(Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1cc(C(F)(F)F)ccc1/C=C/c1ccccc1
InChIInChI=1S/C18H15F3N4/c19-18(20,21)14-9-8-13(7-6-12-4-2-1-3-5-12)15(10-14)17(23)16(11-22)25-24/h1-10,25H,23-24H2/b7-6+,17-16-
InChIKeyFKTPIWVRPLCIBR-NGLZPYLXSA-N
XLogP3.49
TPSA87.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene
CID 171364975
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 169484211
4-(2-phenylethenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 175255475
3-phenyl-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile
CID 2820360
(E)-1-[2,4-bis(trifluoromethyl)phenyl]-3-phenylprop-2-en-1-one
CID 146008661
5-(trifluoromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475774
1-(2-phenylethenyl)-2,4-bis(trichloromethyl)benzene
CID 54237350
5-nitro-2-[(E)-2-phenylethenyl]benzonitrile
CID 6255915
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
(2Z)-2-[amino-[2-bromo-5-(trifluoromethyl)phenyl]methylidene]butanenitrile
CID 113365298
2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 3979739

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile (CID 170147225) is (Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile is N#C/C(NN)=C(/N)c1cc(C(F)(F)F)ccc1/C=C/c1ccccc1.
What is the InChIKey of (Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile?
The InChIKey is FKTPIWVRPLCIBR-NGLZPYLXSA-N. The full InChI is InChI=1S/C18H15F3N4/c19-18(20,21)14-9-8-13(7-6-12-4-2-1-3-5-12)15(10-14)17(23)16(11-22)25-24/h1-10,25H,23-24H2/b7-6+,17-16-.
What are the key properties of (Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile?
(Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile has a molecular weight of 344.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile is sourced from PubChem (CID 170147225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).