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

C9H16FN — CID 135134483

IUPAC(1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
SMILESC[C@H]1C[C@@H]2CC[C@H](C1F)N2C
InChIInChI=1S/C9H16FN/c1-6-5-7-3-4-8(9(6)10)11(7)2/h6-9H,3-5H2,1-2H3/t6-,7-,8+,9?/m0/s1
InChIKeyBVSYGROBGCQTPM-VTBDLZGYSA-N
MW157.23 g/mol
LogP1.83
Rot. Bonds

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

(1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane (PubChem CID 135134483) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
PubChem CID135134483
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
SMILESC[C@H]1C[C@@H]2CC[C@H](C1F)N2C
InChIInChI=1S/C9H16FN/c1-6-5-7-3-4-8(9(6)10)11(7)2/h6-9H,3-5H2,1-2H3/t6-,7-,8+,9?/m0/s1
InChIKeyBVSYGROBGCQTPM-VTBDLZGYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane (CID 135134483) is (1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane is C[C@H]1C[C@@H]2CC[C@H](C1F)N2C.
What is the InChIKey of (1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The InChIKey is BVSYGROBGCQTPM-VTBDLZGYSA-N. The full InChI is InChI=1S/C9H16FN/c1-6-5-7-3-4-8(9(6)10)11(7)2/h6-9H,3-5H2,1-2H3/t6-,7-,8+,9?/m0/s1.
What are the key properties of (1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
(1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane has a molecular weight of 157.23 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 135134483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).