1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine

C11H18F3N — CID 168895764

IUPAC1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine
SMILESCC1(N)CC2(F)CC(C)(F)CC(F)(C1)C2
InChIInChI=1S/C11H18F3N/c1-8(12)3-10(13)5-9(2,15)6-11(14,4-8)7-10/h3-7,15H2,1-2H3
InChIKeyVFUPIUIPFJKYFM-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.83
Rot. Bonds

About 1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine

1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine (PubChem CID 168895764) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is 1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine
PubChem CID168895764
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine
SMILESCC1(N)CC2(F)CC(C)(F)CC(F)(C1)C2
InChIInChI=1S/C11H18F3N/c1-8(12)3-10(13)5-9(2,15)6-11(14,4-8)7-10/h3-7,15H2,1-2H3
InChIKeyVFUPIUIPFJKYFM-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine (CID 168895764) is 1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine is CC1(N)CC2(F)CC(C)(F)CC(F)(C1)C2.
What is the InChIKey of 1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine?
The InChIKey is VFUPIUIPFJKYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-8(12)3-10(13)5-9(2,15)6-11(14,4-8)7-10/h3-7,15H2,1-2H3.
What are the key properties of 1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine?
1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine has a molecular weight of 221.27 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 168895764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).