(3-amino-2-oxohexyl) hypofluorite

C6H12FNO2 — CID 143315142

IUPAC(3-amino-2-oxohexyl) hypofluorite
SMILESCCCC(N)C(=O)COF
InChIInChI=1S/C6H12FNO2/c1-2-3-5(8)6(9)4-10-7/h5H,2-4,8H2,1H3
InChIKeyZTIUMVYEEWKQIS-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.58
Rot. Bonds5

About (3-amino-2-oxohexyl) hypofluorite

(3-amino-2-oxohexyl) hypofluorite (PubChem CID 143315142) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is (3-amino-2-oxohexyl) hypofluorite.

Molecular Properties

Compound Name(3-amino-2-oxohexyl) hypofluorite
PubChem CID143315142
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name(3-amino-2-oxohexyl) hypofluorite
SMILESCCCC(N)C(=O)COF
InChIInChI=1S/C6H12FNO2/c1-2-3-5(8)6(9)4-10-7/h5H,2-4,8H2,1H3
InChIKeyZTIUMVYEEWKQIS-UHFFFAOYSA-N
XLogP0.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-oxohexyl) hypofluorite?
The IUPAC name of (3-amino-2-oxohexyl) hypofluorite (CID 143315142) is (3-amino-2-oxohexyl) hypofluorite.
What is the SMILES notation for (3-amino-2-oxohexyl) hypofluorite?
The canonical SMILES for (3-amino-2-oxohexyl) hypofluorite is CCCC(N)C(=O)COF.
What is the InChIKey of (3-amino-2-oxohexyl) hypofluorite?
The InChIKey is ZTIUMVYEEWKQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-2-3-5(8)6(9)4-10-7/h5H,2-4,8H2,1H3.
What are the key properties of (3-amino-2-oxohexyl) hypofluorite?
(3-amino-2-oxohexyl) hypofluorite has a molecular weight of 149.16 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-oxohexyl) hypofluorite is sourced from PubChem (CID 143315142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).