[(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol

C12H17F2N3O — CID 155352777

IUPAC[(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol
SMILESOC[C@@H]1CCC(F)(F)c2c3c(nn2C1)CCNC3
InChIInChI=1S/C12H17F2N3O/c13-12(14)3-1-8(7-18)6-17-11(12)9-5-15-4-2-10(9)16-17/h8,15,18H,1-7H2/t8-/m1/s1
InChIKeyYYIWVQAIXCWEPN-MRVPVSSYSA-N
MW257.28 g/mol
LogP1.02
Rot. Bonds1

About [(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol

[(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol (PubChem CID 155352777) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is [(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol.

Molecular Properties

Compound Name[(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol
PubChem CID155352777
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name[(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol
SMILESOC[C@@H]1CCC(F)(F)c2c3c(nn2C1)CCNC3
InChIInChI=1S/C12H17F2N3O/c13-12(14)3-1-8(7-18)6-17-11(12)9-5-15-4-2-10(9)16-17/h8,15,18H,1-7H2/t8-/m1/s1
InChIKeyYYIWVQAIXCWEPN-MRVPVSSYSA-N
XLogP1.02
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol?
The IUPAC name of [(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol (CID 155352777) is [(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol.
What is the SMILES notation for [(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol?
The canonical SMILES for [(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol is OC[C@@H]1CCC(F)(F)c2c3c(nn2C1)CCNC3.
What is the InChIKey of [(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol?
The InChIKey is YYIWVQAIXCWEPN-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c13-12(14)3-1-8(7-18)6-17-11(12)9-5-15-4-2-10(9)16-17/h8,15,18H,1-7H2/t8-/m1/s1.
What are the key properties of [(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol?
[(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol has a molecular weight of 257.28 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(11R)-14,14-difluoro-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol is sourced from PubChem (CID 155352777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).