(2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine

C19H19F3N4 — CID 162739865

IUPAC(2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine
SMILESN/N=C1/CCCC/C1=N\c1cc(Cc2cc(F)cc(C(F)F)c2)ccn1
InChIInChI=1S/C19H19F3N4/c20-15-9-13(8-14(11-15)19(21)22)7-12-5-6-24-18(10-12)25-16-3-1-2-4-17(16)26-23/h5-6,8-11,19H,1-4,7,23H2/b25-16+,26-17-
InChIKeyBAVNVRRUQGOHPF-DATOVLGOSA-N
MW360.38 g/mol
LogP4.71
Rot. Bonds4

About (2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine

(2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine (PubChem CID 162739865) has the molecular formula C19H19F3N4 and a molecular weight of 360.38 g/mol. Its IUPAC name is (2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine.

Molecular Properties

Compound Name(2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine
PubChem CID162739865
Molecular FormulaC19H19F3N4
Molecular Weight360.38 g/mol
Exact Mass360.16
IUPAC Name(2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine
SMILESN/N=C1/CCCC/C1=N\c1cc(Cc2cc(F)cc(C(F)F)c2)ccn1
InChIInChI=1S/C19H19F3N4/c20-15-9-13(8-14(11-15)19(21)22)7-12-5-6-24-18(10-12)25-16-3-1-2-4-17(16)26-23/h5-6,8-11,19H,1-4,7,23H2/b25-16+,26-17-
InChIKeyBAVNVRRUQGOHPF-DATOVLGOSA-N
XLogP4.71
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine?
The IUPAC name of (2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine (CID 162739865) is (2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine.
What is the SMILES notation for (2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine?
The canonical SMILES for (2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine is N/N=C1/CCCC/C1=N\c1cc(Cc2cc(F)cc(C(F)F)c2)ccn1.
What is the InChIKey of (2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine?
The InChIKey is BAVNVRRUQGOHPF-DATOVLGOSA-N. The full InChI is InChI=1S/C19H19F3N4/c20-15-9-13(8-14(11-15)19(21)22)7-12-5-6-24-18(10-12)25-16-3-1-2-4-17(16)26-23/h5-6,8-11,19H,1-4,7,23H2/b25-16+,26-17-.
What are the key properties of (2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine?
(2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine has a molecular weight of 360.38 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine is sourced from PubChem (CID 162739865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).