5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene

C15H22F2N2 — CID 135267371

IUPAC5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
SMILESCCCc1nn(C(C)CCC)c2c1C1CC1C2(F)F
InChIInChI=1S/C15H22F2N2/c1-4-6-9(3)19-14-13(12(18-19)7-5-2)10-8-11(10)15(14,16)17/h9-11H,4-8H2,1-3H3
InChIKeyBGBQIHUDDDRYDN-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.41
Rot. Bonds5

About 5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene

5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene (PubChem CID 135267371) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.

Molecular Properties

Compound Name5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
PubChem CID135267371
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
SMILESCCCc1nn(C(C)CCC)c2c1C1CC1C2(F)F
InChIInChI=1S/C15H22F2N2/c1-4-6-9(3)19-14-13(12(18-19)7-5-2)10-8-11(10)15(14,16)17/h9-11H,4-8H2,1-3H3
InChIKeyBGBQIHUDDDRYDN-UHFFFAOYSA-N
XLogP4.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The IUPAC name of 5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene (CID 135267371) is 5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.
What is the SMILES notation for 5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The canonical SMILES for 5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene is CCCc1nn(C(C)CCC)c2c1C1CC1C2(F)F.
What is the InChIKey of 5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
The InChIKey is BGBQIHUDDDRYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-4-6-9(3)19-14-13(12(18-19)7-5-2)10-8-11(10)15(14,16)17/h9-11H,4-8H2,1-3H3.
What are the key properties of 5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene?
5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene has a molecular weight of 268.35 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-7-pentan-2-yl-9-propyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene is sourced from PubChem (CID 135267371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).