(2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol

C11H22FNO2 — CID 59065158

IUPAC(2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol
SMILESC[C@@H]1[C@@H](O)[C@H](C(C)(C)C)O[C@H](CN)[C@H]1F
InChIInChI=1S/C11H22FNO2/c1-6-8(12)7(5-13)15-10(9(6)14)11(2,3)4/h6-10,14H,5,13H2,1-4H3/t6-,7+,8-,9+,10+/m0/s1
InChIKeyPFVXQKCRQMDHCQ-SQXHDICFSA-N
MW219.30 g/mol
LogP1.09
Rot. Bonds1

About (2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol

(2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol (PubChem CID 59065158) has the molecular formula C11H22FNO2 and a molecular weight of 219.30 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol
PubChem CID59065158
Molecular FormulaC11H22FNO2
Molecular Weight219.30 g/mol
Exact Mass219.16
IUPAC Name(2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol
SMILESC[C@@H]1[C@@H](O)[C@H](C(C)(C)C)O[C@H](CN)[C@H]1F
InChIInChI=1S/C11H22FNO2/c1-6-8(12)7(5-13)15-10(9(6)14)11(2,3)4/h6-10,14H,5,13H2,1-4H3/t6-,7+,8-,9+,10+/m0/s1
InChIKeyPFVXQKCRQMDHCQ-SQXHDICFSA-N
XLogP1.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol with MolForge

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Related Compounds

2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58532026
2-tert-butyl-4,6-dimethyloxane-3,5-diol
CID 59892631
2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
CID 20758632
(2S,3R,4R,5S,6S)-2-tert-butyl-4-methyl-6-(methylsulfanylmethyl)oxane-3,5-diol;formaldehyde
CID 158716312
(2S,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-5-fluorooxane-2,4-diol
CID 156619017
[(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum
CID 162202129
[(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+)
CID 161254924
(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol
CID 70862657
(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
[(3S,4S,6S)-6-tert-butyl-5-fluoro-3,4-dimethyloxan-2-yl]methyl acetate
CID 159163704
(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol
CID 58716381
2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol
CID 146643726

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol?
The IUPAC name of (2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol (CID 59065158) is (2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol?
The canonical SMILES for (2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol is C[C@@H]1[C@@H](O)[C@H](C(C)(C)C)O[C@H](CN)[C@H]1F.
What is the InChIKey of (2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol?
The InChIKey is PFVXQKCRQMDHCQ-SQXHDICFSA-N. The full InChI is InChI=1S/C11H22FNO2/c1-6-8(12)7(5-13)15-10(9(6)14)11(2,3)4/h6-10,14H,5,13H2,1-4H3/t6-,7+,8-,9+,10+/m0/s1.
What are the key properties of (2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol?
(2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol has a molecular weight of 219.30 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol is sourced from PubChem (CID 59065158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).