6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine

C15H16BrF2N — CID 67979664

IUPAC6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine
SMILES[H]/N=C1\c2cc(Br)ccc2CC12CCC(C(F)F)CC2
InChIInChI=1S/C15H16BrF2N/c16-11-2-1-10-8-15(13(19)12(10)7-11)5-3-9(4-6-15)14(17)18/h1-2,7,9,14,19H,3-6,8H2/b19-13+
InChIKeyLWBNCTICQVTNRS-CPNJWEJPSA-N
MW328.20 g/mol
LogP4.81
Rot. Bonds1

About 6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine

6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine (PubChem CID 67979664) has the molecular formula C15H16BrF2N and a molecular weight of 328.20 g/mol. Its IUPAC name is 6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine.

Molecular Properties

Compound Name6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine
PubChem CID67979664
Molecular FormulaC15H16BrF2N
Molecular Weight328.20 g/mol
Exact Mass327.04
IUPAC Name6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine
SMILES[H]/N=C1\c2cc(Br)ccc2CC12CCC(C(F)F)CC2
InChIInChI=1S/C15H16BrF2N/c16-11-2-1-10-8-15(13(19)12(10)7-11)5-3-9(4-6-15)14(17)18/h1-2,7,9,14,19H,3-6,8H2/b19-13+
InChIKeyLWBNCTICQVTNRS-CPNJWEJPSA-N
XLogP4.81
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine?
The IUPAC name of 6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine (CID 67979664) is 6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine.
What is the SMILES notation for 6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine?
The canonical SMILES for 6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine is [H]/N=C1\c2cc(Br)ccc2CC12CCC(C(F)F)CC2.
What is the InChIKey of 6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine?
The InChIKey is LWBNCTICQVTNRS-CPNJWEJPSA-N. The full InChI is InChI=1S/C15H16BrF2N/c16-11-2-1-10-8-15(13(19)12(10)7-11)5-3-9(4-6-15)14(17)18/h1-2,7,9,14,19H,3-6,8H2/b19-13+.
What are the key properties of 6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine?
6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine has a molecular weight of 328.20 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4'-(difluoromethyl)spiro[3H-indene-2,1'-cyclohexane]-1-imine is sourced from PubChem (CID 67979664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).