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

C17H32FNO2 — CID 146222995

IUPAC[(2S,4S,5S)-5-amino-5-cyclodecyl-4-fluoro-2-methyloxan-4-yl]methanol
SMILESC[C@H]1C[C@@](F)(CO)[C@](N)(C2CCCCCCCCC2)CO1
InChIInChI=1S/C17H32FNO2/c1-14-11-16(18,12-20)17(19,13-21-14)15-9-7-5-3-2-4-6-8-10-15/h14-15,20H,2-13,19H2,1H3/t14-,16+,17+/m0/s1
InChIKeyXFNPSWMSBXSQHV-USXIJHARSA-N
MW301.45 g/mol
LogP3.33
Rot. Bonds2

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

[(2S,4S,5S)-5-amino-5-cyclodecyl-4-fluoro-2-methyloxan-4-yl]methanol (PubChem CID 146222995) has the molecular formula C17H32FNO2 and a molecular weight of 301.45 g/mol. Its IUPAC name is [(2S,4S,5S)-5-amino-5-cyclodecyl-4-fluoro-2-methyloxan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,5S)-5-amino-5-cyclodecyl-4-fluoro-2-methyloxan-4-yl]methanol
PubChem CID146222995
Molecular FormulaC17H32FNO2
Molecular Weight301.45 g/mol
Exact Mass301.24
IUPAC Name[(2S,4S,5S)-5-amino-5-cyclodecyl-4-fluoro-2-methyloxan-4-yl]methanol
SMILESC[C@H]1C[C@@](F)(CO)[C@](N)(C2CCCCCCCCC2)CO1
InChIInChI=1S/C17H32FNO2/c1-14-11-16(18,12-20)17(19,13-21-14)15-9-7-5-3-2-4-6-8-10-15/h14-15,20H,2-13,19H2,1H3/t14-,16+,17+/m0/s1
InChIKeyXFNPSWMSBXSQHV-USXIJHARSA-N
XLogP3.33
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 53.33
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-cyclodecyl-4-fluoro-2-methyloxan-4-yl]methanol?
The IUPAC name of [(2S,4S,5S)-5-amino-5-cyclodecyl-4-fluoro-2-methyloxan-4-yl]methanol (CID 146222995) is [(2S,4S,5S)-5-amino-5-cyclodecyl-4-fluoro-2-methyloxan-4-yl]methanol.
What is the SMILES notation for [(2S,4S,5S)-5-amino-5-cyclodecyl-4-fluoro-2-methyloxan-4-yl]methanol?
The canonical SMILES for [(2S,4S,5S)-5-amino-5-cyclodecyl-4-fluoro-2-methyloxan-4-yl]methanol is C[C@H]1C[C@@](F)(CO)[C@](N)(C2CCCCCCCCC2)CO1.
What is the InChIKey of [(2S,4S,5S)-5-amino-5-cyclodecyl-4-fluoro-2-methyloxan-4-yl]methanol?
The InChIKey is XFNPSWMSBXSQHV-USXIJHARSA-N. The full InChI is InChI=1S/C17H32FNO2/c1-14-11-16(18,12-20)17(19,13-21-14)15-9-7-5-3-2-4-6-8-10-15/h14-15,20H,2-13,19H2,1H3/t14-,16+,17+/m0/s1.
What are the key properties of [(2S,4S,5S)-5-amino-5-cyclodecyl-4-fluoro-2-methyloxan-4-yl]methanol?
[(2S,4S,5S)-5-amino-5-cyclodecyl-4-fluoro-2-methyloxan-4-yl]methanol has a molecular weight of 301.45 g/mol, XLogP of 3.33, 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-cyclodecyl-4-fluoro-2-methyloxan-4-yl]methanol is sourced from PubChem (CID 146222995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).