1-fluoro-4-methyl-3-(methylamino)hexan-2-one

C8H16FNO — CID 156718899

IUPAC1-fluoro-4-methyl-3-(methylamino)hexan-2-one
SMILESCCC(C)C(NC)C(=O)CF
InChIInChI=1S/C8H16FNO/c1-4-6(2)8(10-3)7(11)5-9/h6,8,10H,4-5H2,1-3H3
InChIKeyNPAVWUZZUKYVKE-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.16
Rot. Bonds5

About 1-fluoro-4-methyl-3-(methylamino)hexan-2-one

1-fluoro-4-methyl-3-(methylamino)hexan-2-one (PubChem CID 156718899) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-fluoro-4-methyl-3-(methylamino)hexan-2-one.

Molecular Properties

Compound Name1-fluoro-4-methyl-3-(methylamino)hexan-2-one
PubChem CID156718899
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-fluoro-4-methyl-3-(methylamino)hexan-2-one
SMILESCCC(C)C(NC)C(=O)CF
InChIInChI=1S/C8H16FNO/c1-4-6(2)8(10-3)7(11)5-9/h6,8,10H,4-5H2,1-3H3
InChIKeyNPAVWUZZUKYVKE-UHFFFAOYSA-N
XLogP1.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methyl-3-(methylamino)hexan-2-one?
The IUPAC name of 1-fluoro-4-methyl-3-(methylamino)hexan-2-one (CID 156718899) is 1-fluoro-4-methyl-3-(methylamino)hexan-2-one.
What is the SMILES notation for 1-fluoro-4-methyl-3-(methylamino)hexan-2-one?
The canonical SMILES for 1-fluoro-4-methyl-3-(methylamino)hexan-2-one is CCC(C)C(NC)C(=O)CF.
What is the InChIKey of 1-fluoro-4-methyl-3-(methylamino)hexan-2-one?
The InChIKey is NPAVWUZZUKYVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-4-6(2)8(10-3)7(11)5-9/h6,8,10H,4-5H2,1-3H3.
What are the key properties of 1-fluoro-4-methyl-3-(methylamino)hexan-2-one?
1-fluoro-4-methyl-3-(methylamino)hexan-2-one has a molecular weight of 161.22 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methyl-3-(methylamino)hexan-2-one is sourced from PubChem (CID 156718899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).