3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol

C18H25BrFNO — CID 70061592

IUPAC3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol
SMILESOC(CCN1CCC2(CCCC2)CC1)c1ccc(F)cc1Br
InChIInChI=1S/C18H25BrFNO/c19-16-13-14(20)3-4-15(16)17(22)5-10-21-11-8-18(9-12-21)6-1-2-7-18/h3-4,13,17,22H,1-2,5-12H2
InChIKeyROBFGSGBUJRNQU-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.67
Rot. Bonds4

About 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol

3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol (PubChem CID 70061592) has the molecular formula C18H25BrFNO and a molecular weight of 370.31 g/mol. Its IUPAC name is 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol
PubChem CID70061592
Molecular FormulaC18H25BrFNO
Molecular Weight370.31 g/mol
Exact Mass369.11
IUPAC Name3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol
SMILESOC(CCN1CCC2(CCCC2)CC1)c1ccc(F)cc1Br
InChIInChI=1S/C18H25BrFNO/c19-16-13-14(20)3-4-15(16)17(22)5-10-21-11-8-18(9-12-21)6-1-2-7-18/h3-4,13,17,22H,1-2,5-12H2
InChIKeyROBFGSGBUJRNQU-UHFFFAOYSA-N
XLogP4.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol (CID 70061592) is 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol is OC(CCN1CCC2(CCCC2)CC1)c1ccc(F)cc1Br.
What is the InChIKey of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol?
The InChIKey is ROBFGSGBUJRNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrFNO/c19-16-13-14(20)3-4-15(16)17(22)5-10-21-11-8-18(9-12-21)6-1-2-7-18/h3-4,13,17,22H,1-2,5-12H2.
What are the key properties of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol?
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol has a molecular weight of 370.31 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromo-4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 70061592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).