[(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol

C11H22FNO2 — CID 142391486

IUPAC[(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol
SMILESCCC(CC)[C@]1(N)COCCC1(F)CO
InChIInChI=1S/C11H22FNO2/c1-3-9(4-2)11(13)8-15-6-5-10(11,12)7-14/h9,14H,3-8,13H2,1-2H3/t10?,11-/m1/s1
InChIKeyYIDAVTRCFNXLIF-RRKGBCIJSA-N
MW219.30 g/mol
LogP1.24
Rot. Bonds4

About [(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol

[(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol (PubChem CID 142391486) has the molecular formula C11H22FNO2 and a molecular weight of 219.30 g/mol. Its IUPAC name is [(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol
PubChem CID142391486
Molecular FormulaC11H22FNO2
Molecular Weight219.30 g/mol
Exact Mass219.16
IUPAC Name[(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol
SMILESCCC(CC)[C@]1(N)COCCC1(F)CO
InChIInChI=1S/C11H22FNO2/c1-3-9(4-2)11(13)8-15-6-5-10(11,12)7-14/h9,14H,3-8,13H2,1-2H3/t10?,11-/m1/s1
InChIKeyYIDAVTRCFNXLIF-RRKGBCIJSA-N
XLogP1.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol?
The IUPAC name of [(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol (CID 142391486) is [(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol.
What is the SMILES notation for [(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol?
The canonical SMILES for [(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol is CCC(CC)[C@]1(N)COCCC1(F)CO.
What is the InChIKey of [(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol?
The InChIKey is YIDAVTRCFNXLIF-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H22FNO2/c1-3-9(4-2)11(13)8-15-6-5-10(11,12)7-14/h9,14H,3-8,13H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of [(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol?
[(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol has a molecular weight of 219.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-amino-4-fluoro-3-pentan-3-yloxan-4-yl]methanol is sourced from PubChem (CID 142391486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).