[(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol

C7H14FNO2 — CID 145336693

IUPAC[(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol
SMILESCC1(F)CC[C@@H](CO)O[C@H]1N
InChIInChI=1S/C7H14FNO2/c1-7(8)3-2-5(4-10)11-6(7)9/h5-6,10H,2-4,9H2,1H3/t5-,6+,7?/m0/s1
InChIKeyPQLKNCQUPCUIGV-GFCOJPQKSA-N
MW163.19 g/mol
LogP0.17
Rot. Bonds1

About [(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol

[(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol (PubChem CID 145336693) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is [(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol
PubChem CID145336693
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name[(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol
SMILESCC1(F)CC[C@@H](CO)O[C@H]1N
InChIInChI=1S/C7H14FNO2/c1-7(8)3-2-5(4-10)11-6(7)9/h5-6,10H,2-4,9H2,1H3/t5-,6+,7?/m0/s1
InChIKeyPQLKNCQUPCUIGV-GFCOJPQKSA-N
XLogP0.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol?
The IUPAC name of [(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol (CID 145336693) is [(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol.
What is the SMILES notation for [(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol?
The canonical SMILES for [(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol is CC1(F)CC[C@@H](CO)O[C@H]1N.
What is the InChIKey of [(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol?
The InChIKey is PQLKNCQUPCUIGV-GFCOJPQKSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-7(8)3-2-5(4-10)11-6(7)9/h5-6,10H,2-4,9H2,1H3/t5-,6+,7?/m0/s1.
What are the key properties of [(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol?
[(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol has a molecular weight of 163.19 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-6-amino-5-fluoro-5-methyloxan-2-yl]methanol is sourced from PubChem (CID 145336693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).