9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine

C10H17F2N — CID 163767042

IUPAC9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine
SMILESCC1(N)CC2CCCC(C1)C2(F)F
InChIInChI=1S/C10H17F2N/c1-9(13)5-7-3-2-4-8(6-9)10(7,11)12/h7-8H,2-6,13H2,1H3
InChIKeyMDFACYHACBZNSO-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.55
Rot. Bonds

About 9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine

9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine (PubChem CID 163767042) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine
PubChem CID163767042
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine
SMILESCC1(N)CC2CCCC(C1)C2(F)F
InChIInChI=1S/C10H17F2N/c1-9(13)5-7-3-2-4-8(6-9)10(7,11)12/h7-8H,2-6,13H2,1H3
InChIKeyMDFACYHACBZNSO-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine (CID 163767042) is 9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine is CC1(N)CC2CCCC(C1)C2(F)F.
What is the InChIKey of 9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine?
The InChIKey is MDFACYHACBZNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-9(13)5-7-3-2-4-8(6-9)10(7,11)12/h7-8H,2-6,13H2,1H3.
What are the key properties of 9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine?
9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine has a molecular weight of 189.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluoro-3-methylbicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 163767042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).