(1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine

C12H15F2N — CID 163625682

IUPAC(1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine
SMILESNC1CC2CC34C[C@H]1CC3C=C4C2(F)F
InChIInChI=1S/C12H15F2N/c13-12(14)8-2-9(15)6-1-7-3-10(12)11(7,4-6)5-8/h3,6-9H,1-2,4-5,15H2/t6-,7?,8?,9?,11?/m1/s1
InChIKeyHRUWKHLICVMFGO-AKRAKMDVSA-N
MW211.25 g/mol
LogP2.33
Rot. Bonds

About (1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine

(1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine (PubChem CID 163625682) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is (1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine.

Molecular Properties

Compound Name(1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine
PubChem CID163625682
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name(1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine
SMILESNC1CC2CC34C[C@H]1CC3C=C4C2(F)F
InChIInChI=1S/C12H15F2N/c13-12(14)8-2-9(15)6-1-7-3-10(12)11(7,4-6)5-8/h3,6-9H,1-2,4-5,15H2/t6-,7?,8?,9?,11?/m1/s1
InChIKeyHRUWKHLICVMFGO-AKRAKMDVSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine?
The IUPAC name of (1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine (CID 163625682) is (1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine.
What is the SMILES notation for (1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine?
The canonical SMILES for (1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine is NC1CC2CC34C[C@H]1CC3C=C4C2(F)F.
What is the InChIKey of (1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine?
The InChIKey is HRUWKHLICVMFGO-AKRAKMDVSA-N. The full InChI is InChI=1S/C12H15F2N/c13-12(14)8-2-9(15)6-1-7-3-10(12)11(7,4-6)5-8/h3,6-9H,1-2,4-5,15H2/t6-,7?,8?,9?,11?/m1/s1.
What are the key properties of (1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine?
(1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine has a molecular weight of 211.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6,6-difluorotetracyclo[5.3.2.03,9.05,9]dodec-4-en-11-amine is sourced from PubChem (CID 163625682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).