(4,4-difluorocyclohexyl)azanium iodide

C6H12F2IN — CID 171662496

IUPAC(4,4-difluorocyclohexyl)azanium iodide
SMILES[I-].[NH3+]C1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2N.HI/c7-6(8)3-1-5(9)2-4-6;/h5H,1-4,9H2;1H
InChIKeyDUAFYXXUBAHPSJ-UHFFFAOYSA-N
MW263.07 g/mol
LogP-2.19
Rot. Bonds

About (4,4-difluorocyclohexyl)azanium iodide

(4,4-difluorocyclohexyl)azanium iodide (PubChem CID 171662496) has the molecular formula C6H12F2IN and a molecular weight of 263.07 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)azanium iodide.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)azanium iodide
PubChem CID171662496
Molecular FormulaC6H12F2IN
Molecular Weight263.07 g/mol
Exact Mass263.00
IUPAC Name(4,4-difluorocyclohexyl)azanium iodide
SMILES[I-].[NH3+]C1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2N.HI/c7-6(8)3-1-5(9)2-4-6;/h5H,1-4,9H2;1H
InChIKeyDUAFYXXUBAHPSJ-UHFFFAOYSA-N
XLogP-2.19
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.07
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)azanium iodide?
The IUPAC name of (4,4-difluorocyclohexyl)azanium iodide (CID 171662496) is (4,4-difluorocyclohexyl)azanium iodide.
What is the SMILES notation for (4,4-difluorocyclohexyl)azanium iodide?
The canonical SMILES for (4,4-difluorocyclohexyl)azanium iodide is [I-].[NH3+]C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)azanium iodide?
The InChIKey is DUAFYXXUBAHPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.HI/c7-6(8)3-1-5(9)2-4-6;/h5H,1-4,9H2;1H.
What are the key properties of (4,4-difluorocyclohexyl)azanium iodide?
(4,4-difluorocyclohexyl)azanium iodide has a molecular weight of 263.07 g/mol, XLogP of -2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)azanium iodide is sourced from PubChem (CID 171662496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).