(4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine

C11H15F2N3 — CID 134443749

IUPAC(4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
SMILESCC(C)(C)n1nc(N)c2c1C(F)(F)[C@@H]1CC21
InChIInChI=1S/C11H15F2N3/c1-10(2,3)16-8-7(9(14)15-16)5-4-6(5)11(8,12)13/h5-6H,4H2,1-3H3,(H2,14,15)/t5?,6-/m1/s1
InChIKeySBNRIKCCSXESAO-PRJDIBJQSA-N
MW227.26 g/mol
LogP2.43
Rot. Bonds

About (4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine

(4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine (PubChem CID 134443749) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is (4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine.

Molecular Properties

Compound Name(4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
PubChem CID134443749
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
SMILESCC(C)(C)n1nc(N)c2c1C(F)(F)[C@@H]1CC21
InChIInChI=1S/C11H15F2N3/c1-10(2,3)16-8-7(9(14)15-16)5-4-6(5)11(8,12)13/h5-6H,4H2,1-3H3,(H2,14,15)/t5?,6-/m1/s1
InChIKeySBNRIKCCSXESAO-PRJDIBJQSA-N
XLogP2.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine?
The IUPAC name of (4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine (CID 134443749) is (4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine.
What is the SMILES notation for (4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine?
The canonical SMILES for (4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine is CC(C)(C)n1nc(N)c2c1C(F)(F)[C@@H]1CC21.
What is the InChIKey of (4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine?
The InChIKey is SBNRIKCCSXESAO-PRJDIBJQSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-10(2,3)16-8-7(9(14)15-16)5-4-6(5)11(8,12)13/h5-6H,4H2,1-3H3,(H2,14,15)/t5?,6-/m1/s1.
What are the key properties of (4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine?
(4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine has a molecular weight of 227.26 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine is sourced from PubChem (CID 134443749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).