(6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol

C11H20FNO — CID 126501554

IUPAC(6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol
SMILESCCC(F)[C@@H]1[C@@H](O)[C@H](C)CNC12CC2
InChIInChI=1S/C11H20FNO/c1-3-8(12)9-10(14)7(2)6-13-11(9)4-5-11/h7-10,13-14H,3-6H2,1-2H3/t7-,8?,9-,10+/m1/s1
InChIKeyHEAYIDUBBCTIDH-GQDPBHBBSA-N
MW201.28 g/mol
LogP1.48
Rot. Bonds2

About (6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol

(6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol (PubChem CID 126501554) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol.

Molecular Properties

Compound Name(6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol
PubChem CID126501554
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol
SMILESCCC(F)[C@@H]1[C@@H](O)[C@H](C)CNC12CC2
InChIInChI=1S/C11H20FNO/c1-3-8(12)9-10(14)7(2)6-13-11(9)4-5-11/h7-10,13-14H,3-6H2,1-2H3/t7-,8?,9-,10+/m1/s1
InChIKeyHEAYIDUBBCTIDH-GQDPBHBBSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol?
The IUPAC name of (6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol (CID 126501554) is (6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol.
What is the SMILES notation for (6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol?
The canonical SMILES for (6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol is CCC(F)[C@@H]1[C@@H](O)[C@H](C)CNC12CC2.
What is the InChIKey of (6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol?
The InChIKey is HEAYIDUBBCTIDH-GQDPBHBBSA-N. The full InChI is InChI=1S/C11H20FNO/c1-3-8(12)9-10(14)7(2)6-13-11(9)4-5-11/h7-10,13-14H,3-6H2,1-2H3/t7-,8?,9-,10+/m1/s1.
What are the key properties of (6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol?
(6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol has a molecular weight of 201.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,8S)-8-(1-fluoropropyl)-6-methyl-4-azaspiro[2.5]octan-7-ol is sourced from PubChem (CID 126501554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).