[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine

C17H16Cl2F3N3 — CID 58218885

IUPAC[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine
SMILESNNc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1
InChIInChI=1S/C17H16Cl2F3N3/c18-12-7-11(8-13(19)9-12)16(17(20,21)22)5-6-25(10-16)15-3-1-14(24-23)2-4-15/h1-4,7-9,24H,5-6,10,23H2
InChIKeyYZFHXJNWBGEJRG-UHFFFAOYSA-N
MW390.24 g/mol
LogP4.99
Rot. Bonds3

About [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine

[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine (PubChem CID 58218885) has the molecular formula C17H16Cl2F3N3 and a molecular weight of 390.24 g/mol. Its IUPAC name is [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine.

Molecular Properties

Compound Name[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine
PubChem CID58218885
Molecular FormulaC17H16Cl2F3N3
Molecular Weight390.24 g/mol
Exact Mass389.07
IUPAC Name[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine
SMILESNNc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1
InChIInChI=1S/C17H16Cl2F3N3/c18-12-7-11(8-13(19)9-12)16(17(20,21)22)5-6-25(10-16)15-3-1-14(24-23)2-4-15/h1-4,7-9,24H,5-6,10,23H2
InChIKeyYZFHXJNWBGEJRG-UHFFFAOYSA-N
XLogP4.99
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine?
The IUPAC name of [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine (CID 58218885) is [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine.
What is the SMILES notation for [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine?
The canonical SMILES for [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine is NNc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1.
What is the InChIKey of [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine?
The InChIKey is YZFHXJNWBGEJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2F3N3/c18-12-7-11(8-13(19)9-12)16(17(20,21)22)5-6-25(10-16)15-3-1-14(24-23)2-4-15/h1-4,7-9,24H,5-6,10,23H2.
What are the key properties of [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine?
[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine has a molecular weight of 390.24 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]hydrazine is sourced from PubChem (CID 58218885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).