2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol

C15H23F2N3O — CID 155359463

IUPAC2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol
SMILESC[C@@H]1Cc2nn3c(c2CN1)C(F)(F)CC[C@@H](C(C)(C)O)C3
InChIInChI=1S/C15H23F2N3O/c1-9-6-12-11(7-18-9)13-15(16,17)5-4-10(14(2,3)21)8-20(13)19-12/h9-10,18,21H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyPGZJFHQUHGYKMD-NXEZZACHSA-N
MW299.37 g/mol
LogP2.19
Rot. Bonds1

About 2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol

2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol (PubChem CID 155359463) has the molecular formula C15H23F2N3O and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol
PubChem CID155359463
Molecular FormulaC15H23F2N3O
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol
SMILESC[C@@H]1Cc2nn3c(c2CN1)C(F)(F)CC[C@@H](C(C)(C)O)C3
InChIInChI=1S/C15H23F2N3O/c1-9-6-12-11(7-18-9)13-15(16,17)5-4-10(14(2,3)21)8-20(13)19-12/h9-10,18,21H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyPGZJFHQUHGYKMD-NXEZZACHSA-N
XLogP2.19
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol?
The IUPAC name of 2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol (CID 155359463) is 2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol.
What is the SMILES notation for 2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol?
The canonical SMILES for 2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol is C[C@@H]1Cc2nn3c(c2CN1)C(F)(F)CC[C@@H](C(C)(C)O)C3.
What is the InChIKey of 2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol?
The InChIKey is PGZJFHQUHGYKMD-NXEZZACHSA-N. The full InChI is InChI=1S/C15H23F2N3O/c1-9-6-12-11(7-18-9)13-15(16,17)5-4-10(14(2,3)21)8-20(13)19-12/h9-10,18,21H,4-8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of 2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol?
2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol has a molecular weight of 299.37 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol is sourced from PubChem (CID 155359463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).