(7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol

C16H30FNO — CID 144874068

IUPAC(7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol
SMILESCCCC(CC)CC(F)C1[C@@H](O)C(C)CNC12CC2
InChIInChI=1S/C16H30FNO/c1-4-6-12(5-2)9-13(17)14-15(19)11(3)10-18-16(14)7-8-16/h11-15,18-19H,4-10H2,1-3H3/t11?,12?,13?,14?,15-/m0/s1
InChIKeyAHBJRALVNRHGIS-MWHZVNNOSA-N
MW271.42 g/mol
LogP3.29
Rot. Bonds6

About (7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol

(7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol (PubChem CID 144874068) has the molecular formula C16H30FNO and a molecular weight of 271.42 g/mol. Its IUPAC name is (7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol.

Molecular Properties

Compound Name(7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol
PubChem CID144874068
Molecular FormulaC16H30FNO
Molecular Weight271.42 g/mol
Exact Mass271.23
IUPAC Name(7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol
SMILESCCCC(CC)CC(F)C1[C@@H](O)C(C)CNC12CC2
InChIInChI=1S/C16H30FNO/c1-4-6-12(5-2)9-13(17)14-15(19)11(3)10-18-16(14)7-8-16/h11-15,18-19H,4-10H2,1-3H3/t11?,12?,13?,14?,15-/m0/s1
InChIKeyAHBJRALVNRHGIS-MWHZVNNOSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol?
The IUPAC name of (7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol (CID 144874068) is (7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol.
What is the SMILES notation for (7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol?
The canonical SMILES for (7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol is CCCC(CC)CC(F)C1[C@@H](O)C(C)CNC12CC2.
What is the InChIKey of (7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol?
The InChIKey is AHBJRALVNRHGIS-MWHZVNNOSA-N. The full InChI is InChI=1S/C16H30FNO/c1-4-6-12(5-2)9-13(17)14-15(19)11(3)10-18-16(14)7-8-16/h11-15,18-19H,4-10H2,1-3H3/t11?,12?,13?,14?,15-/m0/s1.
What are the key properties of (7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol?
(7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol has a molecular weight of 271.42 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S)-8-(3-ethyl-1-fluorohexyl)-6-methyl-4-azaspiro[2.5]octan-7-ol is sourced from PubChem (CID 144874068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).