9,9-difluorobicyclo[3.3.1]nonan-3-amine

C9H15F2N — CID 154848948

IUPAC9,9-difluorobicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)C2(F)F
InChIInChI=1S/C9H15F2N/c10-9(11)6-2-1-3-7(9)5-8(12)4-6/h6-8H,1-5,12H2
InChIKeyHZAVGZANEBHWEK-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.16
Rot. Bonds

About 9,9-difluorobicyclo[3.3.1]nonan-3-amine

9,9-difluorobicyclo[3.3.1]nonan-3-amine (PubChem CID 154848948) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 9,9-difluorobicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9,9-difluorobicyclo[3.3.1]nonan-3-amine
PubChem CID154848948
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name9,9-difluorobicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)C2(F)F
InChIInChI=1S/C9H15F2N/c10-9(11)6-2-1-3-7(9)5-8(12)4-6/h6-8H,1-5,12H2
InChIKeyHZAVGZANEBHWEK-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-difluorobicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9,9-difluorobicyclo[3.3.1]nonan-3-amine (CID 154848948) is 9,9-difluorobicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9,9-difluorobicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9,9-difluorobicyclo[3.3.1]nonan-3-amine is NC1CC2CCCC(C1)C2(F)F.
What is the InChIKey of 9,9-difluorobicyclo[3.3.1]nonan-3-amine?
The InChIKey is HZAVGZANEBHWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c10-9(11)6-2-1-3-7(9)5-8(12)4-6/h6-8H,1-5,12H2.
What are the key properties of 9,9-difluorobicyclo[3.3.1]nonan-3-amine?
9,9-difluorobicyclo[3.3.1]nonan-3-amine has a molecular weight of 175.22 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluorobicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 154848948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).