3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine

C12H22FN — CID 130252732

IUPAC3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine
SMILESCC1(CCF)CC2CCCC(N)(C2)C1
InChIInChI=1S/C12H22FN/c1-11(5-6-13)7-10-3-2-4-12(14,8-10)9-11/h10H,2-9,14H2,1H3
InChIKeyHBWWHFUXUFAMIJ-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.03
Rot. Bonds2

About 3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine

3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine (PubChem CID 130252732) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine.

Molecular Properties

Compound Name3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine
PubChem CID130252732
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine
SMILESCC1(CCF)CC2CCCC(N)(C2)C1
InChIInChI=1S/C12H22FN/c1-11(5-6-13)7-10-3-2-4-12(14,8-10)9-11/h10H,2-9,14H2,1H3
InChIKeyHBWWHFUXUFAMIJ-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine?
The IUPAC name of 3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine (CID 130252732) is 3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine.
What is the SMILES notation for 3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine?
The canonical SMILES for 3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine is CC1(CCF)CC2CCCC(N)(C2)C1.
What is the InChIKey of 3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine?
The InChIKey is HBWWHFUXUFAMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-11(5-6-13)7-10-3-2-4-12(14,8-10)9-11/h10H,2-9,14H2,1H3.
What are the key properties of 3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine?
3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine has a molecular weight of 199.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine is sourced from PubChem (CID 130252732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).