5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine

C9H16F2N2 — CID 20763709

IUPAC5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine
SMILESCN1CC2CCC(F)(F)C(N)C2C1
InChIInChI=1S/C9H16F2N2/c1-13-4-6-2-3-9(10,11)8(12)7(6)5-13/h6-8H,2-5,12H2,1H3
InChIKeyGLYUTMBWCCVQBP-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.92
Rot. Bonds

About 5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine

5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine (PubChem CID 20763709) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine.

Molecular Properties

Compound Name5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine
PubChem CID20763709
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine
SMILESCN1CC2CCC(F)(F)C(N)C2C1
InChIInChI=1S/C9H16F2N2/c1-13-4-6-2-3-9(10,11)8(12)7(6)5-13/h6-8H,2-5,12H2,1H3
InChIKeyGLYUTMBWCCVQBP-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine?
The IUPAC name of 5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine (CID 20763709) is 5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine.
What is the SMILES notation for 5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine?
The canonical SMILES for 5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine is CN1CC2CCC(F)(F)C(N)C2C1.
What is the InChIKey of 5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine?
The InChIKey is GLYUTMBWCCVQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-13-4-6-2-3-9(10,11)8(12)7(6)5-13/h6-8H,2-5,12H2,1H3.
What are the key properties of 5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine?
5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine has a molecular weight of 190.24 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-4-amine is sourced from PubChem (CID 20763709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).