[4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine

C18H18ClF3N2 — CID 144653516

IUPAC[4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine
SMILESCc1cc(C(/C=C/c2ccc(NN)cc2)C(F)(F)F)cc(Cl)c1C
InChIInChI=1S/C18H18ClF3N2/c1-11-9-14(10-17(19)12(11)2)16(18(20,21)22)8-5-13-3-6-15(24-23)7-4-13/h3-10,16,24H,23H2,1-2H3/b8-5+
InChIKeyHYQFFVPFIVJERH-VMPITWQZSA-N
MW354.80 g/mol
LogP5.60
Rot. Bonds4

About [4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine

[4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine (PubChem CID 144653516) has the molecular formula C18H18ClF3N2 and a molecular weight of 354.80 g/mol. Its IUPAC name is [4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine.

Molecular Properties

Compound Name[4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine
PubChem CID144653516
Molecular FormulaC18H18ClF3N2
Molecular Weight354.80 g/mol
Exact Mass354.11
IUPAC Name[4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine
SMILESCc1cc(C(/C=C/c2ccc(NN)cc2)C(F)(F)F)cc(Cl)c1C
InChIInChI=1S/C18H18ClF3N2/c1-11-9-14(10-17(19)12(11)2)16(18(20,21)22)8-5-13-3-6-15(24-23)7-4-13/h3-10,16,24H,23H2,1-2H3/b8-5+
InChIKeyHYQFFVPFIVJERH-VMPITWQZSA-N
XLogP5.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.80
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine?
The IUPAC name of [4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine (CID 144653516) is [4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine.
What is the SMILES notation for [4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine?
The canonical SMILES for [4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine is Cc1cc(C(/C=C/c2ccc(NN)cc2)C(F)(F)F)cc(Cl)c1C.
What is the InChIKey of [4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine?
The InChIKey is HYQFFVPFIVJERH-VMPITWQZSA-N. The full InChI is InChI=1S/C18H18ClF3N2/c1-11-9-14(10-17(19)12(11)2)16(18(20,21)22)8-5-13-3-6-15(24-23)7-4-13/h3-10,16,24H,23H2,1-2H3/b8-5+.
What are the key properties of [4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine?
[4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine has a molecular weight of 354.80 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]hydrazine is sourced from PubChem (CID 144653516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).