2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol

C16H21F2NO — CID 106173026

IUPAC2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol
SMILESOCC(F)(F)CNC1C2CCC1Cc1ccccc1C2
InChIInChI=1S/C16H21F2NO/c17-16(18,10-20)9-19-15-13-5-6-14(15)8-12-4-2-1-3-11(12)7-13/h1-4,13-15,19-20H,5-10H2
InChIKeyFBVCBFMNAMNIPX-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.40
Rot. Bonds4

About 2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol

2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol (PubChem CID 106173026) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is 2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol
PubChem CID106173026
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol
SMILESOCC(F)(F)CNC1C2CCC1Cc1ccccc1C2
InChIInChI=1S/C16H21F2NO/c17-16(18,10-20)9-19-15-13-5-6-14(15)8-12-4-2-1-3-11(12)7-13/h1-4,13-15,19-20H,5-10H2
InChIKeyFBVCBFMNAMNIPX-UHFFFAOYSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol (CID 106173026) is 2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol is OCC(F)(F)CNC1C2CCC1Cc1ccccc1C2.
What is the InChIKey of 2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol?
The InChIKey is FBVCBFMNAMNIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c17-16(18,10-20)9-19-15-13-5-6-14(15)8-12-4-2-1-3-11(12)7-13/h1-4,13-15,19-20H,5-10H2.
What are the key properties of 2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol?
2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol has a molecular weight of 281.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propan-1-ol is sourced from PubChem (CID 106173026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).