6-amino-5-fluoro-4-hydroxyhexan-3-one

C6H12FNO2 — CID 176918141

IUPAC6-amino-5-fluoro-4-hydroxyhexan-3-one
SMILESCCC(=O)C(O)C(F)CN
InChIInChI=1S/C6H12FNO2/c1-2-5(9)6(10)4(7)3-8/h4,6,10H,2-3,8H2,1H3
InChIKeyBXTCSGXRPMEKNW-UHFFFAOYSA-N
MW149.16 g/mol
LogP-0.38
Rot. Bonds4

About 6-amino-5-fluoro-4-hydroxyhexan-3-one

6-amino-5-fluoro-4-hydroxyhexan-3-one (PubChem CID 176918141) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is 6-amino-5-fluoro-4-hydroxyhexan-3-one.

Molecular Properties

Compound Name6-amino-5-fluoro-4-hydroxyhexan-3-one
PubChem CID176918141
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name6-amino-5-fluoro-4-hydroxyhexan-3-one
SMILESCCC(=O)C(O)C(F)CN
InChIInChI=1S/C6H12FNO2/c1-2-5(9)6(10)4(7)3-8/h4,6,10H,2-3,8H2,1H3
InChIKeyBXTCSGXRPMEKNW-UHFFFAOYSA-N
XLogP-0.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-fluoro-4-hydroxyhexan-3-one?
The IUPAC name of 6-amino-5-fluoro-4-hydroxyhexan-3-one (CID 176918141) is 6-amino-5-fluoro-4-hydroxyhexan-3-one.
What is the SMILES notation for 6-amino-5-fluoro-4-hydroxyhexan-3-one?
The canonical SMILES for 6-amino-5-fluoro-4-hydroxyhexan-3-one is CCC(=O)C(O)C(F)CN.
What is the InChIKey of 6-amino-5-fluoro-4-hydroxyhexan-3-one?
The InChIKey is BXTCSGXRPMEKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-2-5(9)6(10)4(7)3-8/h4,6,10H,2-3,8H2,1H3.
What are the key properties of 6-amino-5-fluoro-4-hydroxyhexan-3-one?
6-amino-5-fluoro-4-hydroxyhexan-3-one has a molecular weight of 149.16 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-fluoro-4-hydroxyhexan-3-one is sourced from PubChem (CID 176918141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).