(5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol

C₉H₂₀FNO — CID 155057078

About (5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol

(5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol (PubChem CID 155057078) has the molecular formula C₉H₂₀FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is (5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol.

Molecular Properties

• Compound Name: (5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol
• PubChem CID: 155057078
• Molecular Formula: C₉H₂₀FNO
• Molecular Weight: 177.26 g/mol
• Exact Mass: 177.15
• IUPAC Name: (5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol
• SMILES: CC(C(C)C(C)(O)CN)[C@H](C)F
• InChI: InChI=1S/C9H20FNO/c1-6(8(3)10)7(2)9(4,12)5-11/h6-8,12H,5,11H2,1-4H3/t6?,7?,8-,9?/m0/s1
• InChIKey: XCOQEVYBTHIBHE-HZMRZXPBSA-N
• XLogP: 1.33
• TPSA: 46.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	177.26
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol?

The IUPAC name of (5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol (CID 155057078) is (5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol.

What is the SMILES notation for (5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol?

The canonical SMILES for (5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol is CC(C(C)C(C)(O)CN)[C@H](C)F.

What is the InChIKey of (5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol?

The InChIKey is XCOQEVYBTHIBHE-HZMRZXPBSA-N. The full InChI is InChI=1S/C9H20FNO/c1-6(8(3)10)7(2)9(4,12)5-11/h6-8,12H,5,11H2,1-4H3/t6?,7?,8-,9?/m0/s1.

What are the key properties of (5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol?

(5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol has a molecular weight of 177.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol is sourced from PubChem (CID 155057078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155057078 — identifiers, structure, computed properties (public domain)

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