3-amino-1-fluorohexan-2-one

C6H12FNO — CID 20670269

IUPAC3-amino-1-fluorohexan-2-one
SMILESCCCC(N)C(=O)CF
InChIInChI=1S/C6H12FNO/c1-2-3-5(8)6(9)4-7/h5H,2-4,8H2,1H3
InChIKeyNOWHPWRVYBLBCC-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.65
Rot. Bonds4

About 3-amino-1-fluorohexan-2-one

3-amino-1-fluorohexan-2-one (PubChem CID 20670269) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-amino-1-fluorohexan-2-one.

Molecular Properties

Compound Name3-amino-1-fluorohexan-2-one
PubChem CID20670269
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name3-amino-1-fluorohexan-2-one
SMILESCCCC(N)C(=O)CF
InChIInChI=1S/C6H12FNO/c1-2-3-5(8)6(9)4-7/h5H,2-4,8H2,1H3
InChIKeyNOWHPWRVYBLBCC-UHFFFAOYSA-N
XLogP0.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-fluorohexan-2-one?
The IUPAC name of 3-amino-1-fluorohexan-2-one (CID 20670269) is 3-amino-1-fluorohexan-2-one.
What is the SMILES notation for 3-amino-1-fluorohexan-2-one?
The canonical SMILES for 3-amino-1-fluorohexan-2-one is CCCC(N)C(=O)CF.
What is the InChIKey of 3-amino-1-fluorohexan-2-one?
The InChIKey is NOWHPWRVYBLBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-2-3-5(8)6(9)4-7/h5H,2-4,8H2,1H3.
What are the key properties of 3-amino-1-fluorohexan-2-one?
3-amino-1-fluorohexan-2-one has a molecular weight of 133.17 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-fluorohexan-2-one is sourced from PubChem (CID 20670269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).