[(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine

C14H17F5N2 — CID 105303248

IUPAC[(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
SMILESNNC(c1ccc(F)cc1F)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H17F5N2/c15-10-5-6-11(12(16)7-10)13(21-20)8-1-3-9(4-2-8)14(17,18)19/h5-9,13,21H,1-4,20H2
InChIKeyGRGZQHIVGJICNB-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.84
Rot. Bonds3

About [(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine

[(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine (PubChem CID 105303248) has the molecular formula C14H17F5N2 and a molecular weight of 308.29 g/mol. Its IUPAC name is [(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine.

Molecular Properties

Compound Name[(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
PubChem CID105303248
Molecular FormulaC14H17F5N2
Molecular Weight308.29 g/mol
Exact Mass308.13
IUPAC Name[(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
SMILESNNC(c1ccc(F)cc1F)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H17F5N2/c15-10-5-6-11(12(16)7-10)13(21-20)8-1-3-9(4-2-8)14(17,18)19/h5-9,13,21H,1-4,20H2
InChIKeyGRGZQHIVGJICNB-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.84
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 [(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The IUPAC name of [(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine (CID 105303248) is [(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine.
What is the SMILES notation for [(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The canonical SMILES for [(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine is NNC(c1ccc(F)cc1F)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of [(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The InChIKey is GRGZQHIVGJICNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5N2/c15-10-5-6-11(12(16)7-10)13(21-20)8-1-3-9(4-2-8)14(17,18)19/h5-9,13,21H,1-4,20H2.
What are the key properties of [(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
[(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine has a molecular weight of 308.29 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine is sourced from PubChem (CID 105303248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).