(4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene

C13H16F2N2 — CID 134279501

IUPAC(4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESFC(F)[C@@H]1C=CN2CCNCC3=CCCC1=C32
InChIInChI=1S/C13H16F2N2/c14-13(15)11-4-6-17-7-5-16-8-9-2-1-3-10(11)12(9)17/h2,4,6,11,13,16H,1,3,5,7-8H2/t11-/m1/s1
InChIKeyDBZNWGFDFSJZBZ-LLVKDONJSA-N
MW238.28 g/mol
LogP2.27
Rot. Bonds1

About (4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene

(4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (PubChem CID 134279501) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is (4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.

Molecular Properties

Compound Name(4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
PubChem CID134279501
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name(4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESFC(F)[C@@H]1C=CN2CCNCC3=CCCC1=C32
InChIInChI=1S/C13H16F2N2/c14-13(15)11-4-6-17-7-5-16-8-9-2-1-3-10(11)12(9)17/h2,4,6,11,13,16H,1,3,5,7-8H2/t11-/m1/s1
InChIKeyDBZNWGFDFSJZBZ-LLVKDONJSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The IUPAC name of (4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (CID 134279501) is (4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.
What is the SMILES notation for (4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The canonical SMILES for (4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is FC(F)[C@@H]1C=CN2CCNCC3=CCCC1=C32.
What is the InChIKey of (4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The InChIKey is DBZNWGFDFSJZBZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16F2N2/c14-13(15)11-4-6-17-7-5-16-8-9-2-1-3-10(11)12(9)17/h2,4,6,11,13,16H,1,3,5,7-8H2/t11-/m1/s1.
What are the key properties of (4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
(4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene has a molecular weight of 238.28 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is sourced from PubChem (CID 134279501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).