4-amino-5-fluoro-4-methylpentan-2-one

C6H12FNO — CID 155006438

IUPAC4-amino-5-fluoro-4-methylpentan-2-one
SMILESCC(=O)CC(C)(N)CF
InChIInChI=1S/C6H12FNO/c1-5(9)3-6(2,8)4-7/h3-4,8H2,1-2H3
InChIKeyOEHZYDNJDGRWBB-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.65
Rot. Bonds3

About 4-amino-5-fluoro-4-methylpentan-2-one

4-amino-5-fluoro-4-methylpentan-2-one (PubChem CID 155006438) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 4-amino-5-fluoro-4-methylpentan-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-4-methylpentan-2-one
PubChem CID155006438
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name4-amino-5-fluoro-4-methylpentan-2-one
SMILESCC(=O)CC(C)(N)CF
InChIInChI=1S/C6H12FNO/c1-5(9)3-6(2,8)4-7/h3-4,8H2,1-2H3
InChIKeyOEHZYDNJDGRWBB-UHFFFAOYSA-N
XLogP0.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

CID 159178711
CID 159178711
1,3-difluoro-2-methylpropan-2-amine
CID 10964647
4-amino-4-methylpentan-2-one;ethane
CID 142087513
5-fluoro-4-(fluoromethyl)-4-hydroxypentan-2-one
CID 153345751
2-amino-2-methyl-4-oxopentanoic acid
CID 22140646
4,4,5,5-tetramethyloctane-2,7-dione
CID 28679
4-hydroxy-4-methylpentan-2-one
CID 87257073
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
4-fluoro-4-methylhexan-2-one
CID 126626777
4,4-bis(2-oxopropyl)heptane-2,6-dione
CID 118031605
4-hydrazinyl-4-methylpentan-2-one
CID 139439757
2-methyl-4-oxopentan-2-olate
CID 101443169

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-4-methylpentan-2-one?
The IUPAC name of 4-amino-5-fluoro-4-methylpentan-2-one (CID 155006438) is 4-amino-5-fluoro-4-methylpentan-2-one.
What is the SMILES notation for 4-amino-5-fluoro-4-methylpentan-2-one?
The canonical SMILES for 4-amino-5-fluoro-4-methylpentan-2-one is CC(=O)CC(C)(N)CF.
What is the InChIKey of 4-amino-5-fluoro-4-methylpentan-2-one?
The InChIKey is OEHZYDNJDGRWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-5(9)3-6(2,8)4-7/h3-4,8H2,1-2H3.
What are the key properties of 4-amino-5-fluoro-4-methylpentan-2-one?
4-amino-5-fluoro-4-methylpentan-2-one has a molecular weight of 133.17 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-4-methylpentan-2-one is sourced from PubChem (CID 155006438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).