(1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane

C10H18FN — CID 135130423

IUPAC(1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)[C@H]1C[C@@H]2CC[C@@H](N2)C1F
InChIInChI=1S/C10H18FN/c1-6(2)8-5-7-3-4-9(12-7)10(8)11/h6-10,12H,3-5H2,1-2H3/t7-,8+,9+,10?/m0/s1
InChIKeyKDAQUSDNLRHAHQ-UWOKOIHUSA-N
MW171.26 g/mol
LogP2.12
Rot. Bonds1

About (1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane

(1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 135130423) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID135130423
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)[C@H]1C[C@@H]2CC[C@@H](N2)C1F
InChIInChI=1S/C10H18FN/c1-6(2)8-5-7-3-4-9(12-7)10(8)11/h6-10,12H,3-5H2,1-2H3/t7-,8+,9+,10?/m0/s1
InChIKeyKDAQUSDNLRHAHQ-UWOKOIHUSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 135130423) is (1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane is CC(C)[C@H]1C[C@@H]2CC[C@@H](N2)C1F.
What is the InChIKey of (1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is KDAQUSDNLRHAHQ-UWOKOIHUSA-N. The full InChI is InChI=1S/C10H18FN/c1-6(2)8-5-7-3-4-9(12-7)10(8)11/h6-10,12H,3-5H2,1-2H3/t7-,8+,9+,10?/m0/s1.
What are the key properties of (1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
(1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 171.26 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 135130423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).