[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]hydrazine

C18H18Cl2F3N3 — CID 66719716

IUPAC[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]hydrazine
SMILESCc1cc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1NN
InChIInChI=1S/C18H18Cl2F3N3/c1-11-6-15(2-3-16(11)25-24)26-5-4-17(10-26,18(21,22)23)12-7-13(19)9-14(20)8-12/h2-3,6-9,25H,4-5,10,24H2,1H3
InChIKeyDGKNJTZJYQSKCP-UHFFFAOYSA-N
MW404.26 g/mol
LogP5.30
Rot. Bonds3

About [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]hydrazine

[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]hydrazine (PubChem CID 66719716) has the molecular formula C18H18Cl2F3N3 and a molecular weight of 404.26 g/mol. Its IUPAC name is [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]hydrazine.

Molecular Properties

Compound Name[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]hydrazine
PubChem CID66719716
Molecular FormulaC18H18Cl2F3N3
Molecular Weight404.26 g/mol
Exact Mass403.08
IUPAC Name[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]hydrazine
SMILESCc1cc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1NN
InChIInChI=1S/C18H18Cl2F3N3/c1-11-6-15(2-3-16(11)25-24)26-5-4-17(10-26,18(21,22)23)12-7-13(19)9-14(20)8-12/h2-3,6-9,25H,4-5,10,24H2,1H3
InChIKeyDGKNJTZJYQSKCP-UHFFFAOYSA-N
XLogP5.30
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.26
LogP ≤ 55.30
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]-2-methylphenyl]hydrazine?
The IUPAC name of [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]hydrazine (CID 66719716) is [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]hydrazine.
What is the SMILES notation for [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]hydrazine?
The canonical SMILES for [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]hydrazine is Cc1cc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1NN.
What is the InChIKey of [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]hydrazine?
The InChIKey is DGKNJTZJYQSKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2F3N3/c1-11-6-15(2-3-16(11)25-24)26-5-4-17(10-26,18(21,22)23)12-7-13(19)9-14(20)8-12/h2-3,6-9,25H,4-5,10,24H2,1H3.
What are the key properties of [4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]hydrazine?
[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]hydrazine has a molecular weight of 404.26 g/mol, XLogP of 5.30, 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]-2-methylphenyl]hydrazine is sourced from PubChem (CID 66719716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).