[(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol

C15H28FNO2 — CID 146223017

IUPAC[(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol
SMILESC[C@H]1C[C@@](F)(CO)[C@](N)(C2CCCCCCC2)CO1
InChIInChI=1S/C15H28FNO2/c1-12-9-14(16,10-18)15(17,11-19-12)13-7-5-3-2-4-6-8-13/h12-13,18H,2-11,17H2,1H3/t12-,14+,15+/m0/s1
InChIKeyIBVMZEJKIXSPQW-NWANDNLSSA-N
MW273.39 g/mol
LogP2.55
Rot. Bonds2

About [(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol

[(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol (PubChem CID 146223017) has the molecular formula C15H28FNO2 and a molecular weight of 273.39 g/mol. Its IUPAC name is [(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol
PubChem CID146223017
Molecular FormulaC15H28FNO2
Molecular Weight273.39 g/mol
Exact Mass273.21
IUPAC Name[(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol
SMILESC[C@H]1C[C@@](F)(CO)[C@](N)(C2CCCCCCC2)CO1
InChIInChI=1S/C15H28FNO2/c1-12-9-14(16,10-18)15(17,11-19-12)13-7-5-3-2-4-6-8-13/h12-13,18H,2-11,17H2,1H3/t12-,14+,15+/m0/s1
InChIKeyIBVMZEJKIXSPQW-NWANDNLSSA-N
XLogP2.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol?
The IUPAC name of [(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol (CID 146223017) is [(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol.
What is the SMILES notation for [(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol?
The canonical SMILES for [(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol is C[C@H]1C[C@@](F)(CO)[C@](N)(C2CCCCCCC2)CO1.
What is the InChIKey of [(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol?
The InChIKey is IBVMZEJKIXSPQW-NWANDNLSSA-N. The full InChI is InChI=1S/C15H28FNO2/c1-12-9-14(16,10-18)15(17,11-19-12)13-7-5-3-2-4-6-8-13/h12-13,18H,2-11,17H2,1H3/t12-,14+,15+/m0/s1.
What are the key properties of [(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol?
[(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol has a molecular weight of 273.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5S)-5-amino-5-cyclooctyl-4-fluoro-2-methyloxan-4-yl]methanol is sourced from PubChem (CID 146223017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).