6-amino-3-fluoro-4-methylheptan-2-one

C8H16FNO — CID 167028799

IUPAC6-amino-3-fluoro-4-methylheptan-2-one
SMILESCC(=O)C(F)C(C)CC(C)N
InChIInChI=1S/C8H16FNO/c1-5(4-6(2)10)8(9)7(3)11/h5-6,8H,4,10H2,1-3H3
InChIKeyUVAGQGAXBAUJIR-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.29
Rot. Bonds4

About 6-amino-3-fluoro-4-methylheptan-2-one

6-amino-3-fluoro-4-methylheptan-2-one (PubChem CID 167028799) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 6-amino-3-fluoro-4-methylheptan-2-one.

Molecular Properties

Compound Name6-amino-3-fluoro-4-methylheptan-2-one
PubChem CID167028799
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name6-amino-3-fluoro-4-methylheptan-2-one
SMILESCC(=O)C(F)C(C)CC(C)N
InChIInChI=1S/C8H16FNO/c1-5(4-6(2)10)8(9)7(3)11/h5-6,8H,4,10H2,1-3H3
InChIKeyUVAGQGAXBAUJIR-UHFFFAOYSA-N
XLogP1.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-fluoro-4-methylheptan-2-one?
The IUPAC name of 6-amino-3-fluoro-4-methylheptan-2-one (CID 167028799) is 6-amino-3-fluoro-4-methylheptan-2-one.
What is the SMILES notation for 6-amino-3-fluoro-4-methylheptan-2-one?
The canonical SMILES for 6-amino-3-fluoro-4-methylheptan-2-one is CC(=O)C(F)C(C)CC(C)N.
What is the InChIKey of 6-amino-3-fluoro-4-methylheptan-2-one?
The InChIKey is UVAGQGAXBAUJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-5(4-6(2)10)8(9)7(3)11/h5-6,8H,4,10H2,1-3H3.
What are the key properties of 6-amino-3-fluoro-4-methylheptan-2-one?
6-amino-3-fluoro-4-methylheptan-2-one has a molecular weight of 161.22 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-fluoro-4-methylheptan-2-one is sourced from PubChem (CID 167028799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).