1-amino-3-fluoro-4-methylpentan-2-one

C6H12FNO — CID 84648185

IUPAC1-amino-3-fluoro-4-methylpentan-2-one
SMILESCC(C)C(F)C(=O)CN
InChIInChI=1S/C6H12FNO/c1-4(2)6(7)5(9)3-8/h4,6H,3,8H2,1-2H3
InChIKeyCXNCZXDTNZJTKT-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.51
Rot. Bonds3

About 1-amino-3-fluoro-4-methylpentan-2-one

1-amino-3-fluoro-4-methylpentan-2-one (PubChem CID 84648185) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 1-amino-3-fluoro-4-methylpentan-2-one.

Molecular Properties

Compound Name1-amino-3-fluoro-4-methylpentan-2-one
PubChem CID84648185
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name1-amino-3-fluoro-4-methylpentan-2-one
SMILESCC(C)C(F)C(=O)CN
InChIInChI=1S/C6H12FNO/c1-4(2)6(7)5(9)3-8/h4,6H,3,8H2,1-2H3
InChIKeyCXNCZXDTNZJTKT-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3S)-5-amino-3-hydroxy-4-oxopentan-2-yl]oxidanium
CID 148947555
1,3-diaminobutan-2-one
CID 18683672
5-amino-3-(difluoromethyl)-2-methyl-4-oxopentanoic acid
CID 88769763
(3R)-1-amino-3-methylhex-5-ene-2,4-dione
CID 130198030
1-amino-3-methylpentan-2-one;hydrochloride
CID 154878698
4-amino-2-fluoro-3-methylbutanoic acid
CID 138987586
(3S)-1-amino-3-hydroxypentan-2-one
CID 126711962
(3S)-1-amino-3-(methylaminomethylamino)butan-2-one
CID 90346842
(3S,4S)-1-amino-4-ethoxy-3-methylpentan-2-one
CID 89043198
3-(aminomethyl)-1-methoxy-4-methylpentan-2-one
CID 116573883
(2S)-2-fluoropropanamide
CID 129374964
1-amino-4-butyl-3-methyloctan-2-one
CID 142121996

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-fluoro-4-methylpentan-2-one?
The IUPAC name of 1-amino-3-fluoro-4-methylpentan-2-one (CID 84648185) is 1-amino-3-fluoro-4-methylpentan-2-one.
What is the SMILES notation for 1-amino-3-fluoro-4-methylpentan-2-one?
The canonical SMILES for 1-amino-3-fluoro-4-methylpentan-2-one is CC(C)C(F)C(=O)CN.
What is the InChIKey of 1-amino-3-fluoro-4-methylpentan-2-one?
The InChIKey is CXNCZXDTNZJTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-4(2)6(7)5(9)3-8/h4,6H,3,8H2,1-2H3.
What are the key properties of 1-amino-3-fluoro-4-methylpentan-2-one?
1-amino-3-fluoro-4-methylpentan-2-one has a molecular weight of 133.17 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-fluoro-4-methylpentan-2-one is sourced from PubChem (CID 84648185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).