N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine

C11H20F2N2 — CID 115407364

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCC1CC2CCCCC2N1
InChIInChI=1S/C11H20F2N2/c12-11(13)7-14-6-9-5-8-3-1-2-4-10(8)15-9/h8-11,14-15H,1-7H2
InChIKeyUQZOZWBEMXCCMT-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.76
Rot. Bonds4

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine (PubChem CID 115407364) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine
PubChem CID115407364
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCC1CC2CCCCC2N1
InChIInChI=1S/C11H20F2N2/c12-11(13)7-14-6-9-5-8-3-1-2-4-10(8)15-9/h8-11,14-15H,1-7H2
InChIKeyUQZOZWBEMXCCMT-UHFFFAOYSA-N
XLogP1.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine (CID 115407364) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine is FC(F)CNCC1CC2CCCCC2N1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine?
The InChIKey is UQZOZWBEMXCCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c12-11(13)7-14-6-9-5-8-3-1-2-4-10(8)15-9/h8-11,14-15H,1-7H2.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine has a molecular weight of 218.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2,2-difluoroethanamine is sourced from PubChem (CID 115407364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).