6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane

C11H20FN — CID 176722354

IUPAC6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane
SMILESCC(C)[C@H](C)N1CC2(CC(F)C2)C1
InChIInChI=1S/C11H20FN/c1-8(2)9(3)13-6-11(7-13)4-10(12)5-11/h8-10H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyOCCHBUJBMCDXFE-VIFPVBQESA-N
MW185.29 g/mol
LogP2.46
Rot. Bonds2

About 6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane

6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane (PubChem CID 176722354) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane
PubChem CID176722354
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane
SMILESCC(C)[C@H](C)N1CC2(CC(F)C2)C1
InChIInChI=1S/C11H20FN/c1-8(2)9(3)13-6-11(7-13)4-10(12)5-11/h8-10H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyOCCHBUJBMCDXFE-VIFPVBQESA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane?
The IUPAC name of 6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane (CID 176722354) is 6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane is CC(C)[C@H](C)N1CC2(CC(F)C2)C1.
What is the InChIKey of 6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane?
The InChIKey is OCCHBUJBMCDXFE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20FN/c1-8(2)9(3)13-6-11(7-13)4-10(12)5-11/h8-10H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of 6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane?
6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane has a molecular weight of 185.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(2S)-3-methylbutan-2-yl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 176722354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).