3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol

C11H20F2N2O — CID 104860536

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCN2CCCC2C1
InChIInChI=1S/C11H20F2N2O/c12-11(13,8-16)7-14-9-3-5-15-4-1-2-10(15)6-9/h9-10,14,16H,1-8H2
InChIKeySZRADIVRVDPCQW-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.83
Rot. Bonds4

About 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol (PubChem CID 104860536) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol
PubChem CID104860536
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCN2CCCC2C1
InChIInChI=1S/C11H20F2N2O/c12-11(13,8-16)7-14-9-3-5-15-4-1-2-10(15)6-9/h9-10,14,16H,1-8H2
InChIKeySZRADIVRVDPCQW-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol (CID 104860536) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol is OCC(F)(F)CNC1CCN2CCCC2C1.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol?
The InChIKey is SZRADIVRVDPCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c12-11(13,8-16)7-14-9-3-5-15-4-1-2-10(15)6-9/h9-10,14,16H,1-8H2.
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol has a molecular weight of 234.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104860536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).