[(3R,5R)-3-fluoroazocan-5-yl]methanol

C8H16FNO — CID 171453828

IUPAC[(3R,5R)-3-fluoroazocan-5-yl]methanol
SMILESOC[C@@H]1CCCNC[C@H](F)C1
InChIInChI=1S/C8H16FNO/c9-8-4-7(6-11)2-1-3-10-5-8/h7-8,10-11H,1-6H2/t7-,8-/m1/s1
InChIKeyDNICGSVRLKNNTP-HTQZYQBOSA-N
MW161.22 g/mol
LogP0.71
Rot. Bonds1

About [(3R,5R)-3-fluoroazocan-5-yl]methanol

[(3R,5R)-3-fluoroazocan-5-yl]methanol (PubChem CID 171453828) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is [(3R,5R)-3-fluoroazocan-5-yl]methanol.

Molecular Properties

Compound Name[(3R,5R)-3-fluoroazocan-5-yl]methanol
PubChem CID171453828
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name[(3R,5R)-3-fluoroazocan-5-yl]methanol
SMILESOC[C@@H]1CCCNC[C@H](F)C1
InChIInChI=1S/C8H16FNO/c9-8-4-7(6-11)2-1-3-10-5-8/h7-8,10-11H,1-6H2/t7-,8-/m1/s1
InChIKeyDNICGSVRLKNNTP-HTQZYQBOSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-fluoroazocan-5-yl]methanol?
The IUPAC name of [(3R,5R)-3-fluoroazocan-5-yl]methanol (CID 171453828) is [(3R,5R)-3-fluoroazocan-5-yl]methanol.
What is the SMILES notation for [(3R,5R)-3-fluoroazocan-5-yl]methanol?
The canonical SMILES for [(3R,5R)-3-fluoroazocan-5-yl]methanol is OC[C@@H]1CCCNC[C@H](F)C1.
What is the InChIKey of [(3R,5R)-3-fluoroazocan-5-yl]methanol?
The InChIKey is DNICGSVRLKNNTP-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16FNO/c9-8-4-7(6-11)2-1-3-10-5-8/h7-8,10-11H,1-6H2/t7-,8-/m1/s1.
What are the key properties of [(3R,5R)-3-fluoroazocan-5-yl]methanol?
[(3R,5R)-3-fluoroazocan-5-yl]methanol has a molecular weight of 161.22 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-fluoroazocan-5-yl]methanol is sourced from PubChem (CID 171453828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).