(1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine

C10H17FN2 — CID 170046907

IUPAC(1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine
SMILESCC(C)N1[C@@H]2C[C@H]3[C@H]1[C@H](F)[C@]3(N)C2
InChIInChI=1S/C10H17FN2/c1-5(2)13-6-3-7-8(13)9(11)10(7,12)4-6/h5-9H,3-4,12H2,1-2H3/t6-,7+,8+,9+,10+/m1/s1
InChIKeyDWUWORBDKMLYKX-MBGOZMDMSA-N
MW184.26 g/mol
LogP0.91
Rot. Bonds1

About (1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine

(1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine (PubChem CID 170046907) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is (1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine.

Molecular Properties

Compound Name(1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine
PubChem CID170046907
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name(1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine
SMILESCC(C)N1[C@@H]2C[C@H]3[C@H]1[C@H](F)[C@]3(N)C2
InChIInChI=1S/C10H17FN2/c1-5(2)13-6-3-7-8(13)9(11)10(7,12)4-6/h5-9H,3-4,12H2,1-2H3/t6-,7+,8+,9+,10+/m1/s1
InChIKeyDWUWORBDKMLYKX-MBGOZMDMSA-N
XLogP0.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine?
The IUPAC name of (1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine (CID 170046907) is (1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine.
What is the SMILES notation for (1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine?
The canonical SMILES for (1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine is CC(C)N1[C@@H]2C[C@H]3[C@H]1[C@H](F)[C@]3(N)C2.
What is the InChIKey of (1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine?
The InChIKey is DWUWORBDKMLYKX-MBGOZMDMSA-N. The full InChI is InChI=1S/C10H17FN2/c1-5(2)13-6-3-7-8(13)9(11)10(7,12)4-6/h5-9H,3-4,12H2,1-2H3/t6-,7+,8+,9+,10+/m1/s1.
What are the key properties of (1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine?
(1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine has a molecular weight of 184.26 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine is sourced from PubChem (CID 170046907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).