2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine

C20H21F2NO — CID 167480870

IUPAC2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine
SMILESNC1CCOC(C2c3ccc(F)cc3CCc3cc(F)ccc32)C1
InChIInChI=1S/C20H21F2NO/c21-14-3-5-17-12(9-14)1-2-13-10-15(22)4-6-18(13)20(17)19-11-16(23)7-8-24-19/h3-6,9-10,16,19-20H,1-2,7-8,11,23H2
InChIKeyKNQBXCNJNKRYMM-UHFFFAOYSA-N
MW329.39 g/mol
LogP3.70
Rot. Bonds1

About 2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine

2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine (PubChem CID 167480870) has the molecular formula C20H21F2NO and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine.

Molecular Properties

Compound Name2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine
PubChem CID167480870
Molecular FormulaC20H21F2NO
Molecular Weight329.39 g/mol
Exact Mass329.16
IUPAC Name2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine
SMILESNC1CCOC(C2c3ccc(F)cc3CCc3cc(F)ccc32)C1
InChIInChI=1S/C20H21F2NO/c21-14-3-5-17-12(9-14)1-2-13-10-15(22)4-6-18(13)20(17)19-11-16(23)7-8-24-19/h3-6,9-10,16,19-20H,1-2,7-8,11,23H2
InChIKeyKNQBXCNJNKRYMM-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine?
The IUPAC name of 2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine (CID 167480870) is 2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine.
What is the SMILES notation for 2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine?
The canonical SMILES for 2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine is NC1CCOC(C2c3ccc(F)cc3CCc3cc(F)ccc32)C1.
What is the InChIKey of 2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine?
The InChIKey is KNQBXCNJNKRYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO/c21-14-3-5-17-12(9-14)1-2-13-10-15(22)4-6-18(13)20(17)19-11-16(23)7-8-24-19/h3-6,9-10,16,19-20H,1-2,7-8,11,23H2.
What are the key properties of 2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine?
2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine has a molecular weight of 329.39 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)oxan-4-amine is sourced from PubChem (CID 167480870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).