[7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol

C15H19ClFNO — CID 176563846

IUPAC[7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol
SMILESOCC1CC2(CCN(c3cc(Cl)ccc3F)CC2)C1
InChIInChI=1S/C15H19ClFNO/c16-12-1-2-13(17)14(7-12)18-5-3-15(4-6-18)8-11(9-15)10-19/h1-2,7,11,19H,3-6,8-10H2
InChIKeyXWQHAMFYDHRBDY-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.47
Rot. Bonds2

About [7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol

[7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol (PubChem CID 176563846) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is [7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol.

Molecular Properties

Compound Name[7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol
PubChem CID176563846
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name[7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol
SMILESOCC1CC2(CCN(c3cc(Cl)ccc3F)CC2)C1
InChIInChI=1S/C15H19ClFNO/c16-12-1-2-13(17)14(7-12)18-5-3-15(4-6-18)8-11(9-15)10-19/h1-2,7,11,19H,3-6,8-10H2
InChIKeyXWQHAMFYDHRBDY-UHFFFAOYSA-N
XLogP3.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol?
The IUPAC name of [7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol (CID 176563846) is [7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol.
What is the SMILES notation for [7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol?
The canonical SMILES for [7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol is OCC1CC2(CCN(c3cc(Cl)ccc3F)CC2)C1.
What is the InChIKey of [7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol?
The InChIKey is XWQHAMFYDHRBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c16-12-1-2-13(17)14(7-12)18-5-3-15(4-6-18)8-11(9-15)10-19/h1-2,7,11,19H,3-6,8-10H2.
What are the key properties of [7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol?
[7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol has a molecular weight of 283.77 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(5-chloro-2-fluorophenyl)-7-azaspiro[3.5]nonan-2-yl]methanol is sourced from PubChem (CID 176563846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).