(4S)-2-fluoro-4-(methylamino)pentan-3-one

C6H12FNO — CID 122674507

IUPAC(4S)-2-fluoro-4-(methylamino)pentan-3-one
SMILESCN[C@@H](C)C(=O)C(C)F
InChIInChI=1S/C6H12FNO/c1-4(7)6(9)5(2)8-3/h4-5,8H,1-3H3/t4?,5-/m0/s1
InChIKeyTULDXRVVKHFUTG-AKGZTFGVSA-N
MW133.17 g/mol
LogP0.52
Rot. Bonds3

About (4S)-2-fluoro-4-(methylamino)pentan-3-one

(4S)-2-fluoro-4-(methylamino)pentan-3-one (PubChem CID 122674507) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (4S)-2-fluoro-4-(methylamino)pentan-3-one.

Molecular Properties

Compound Name(4S)-2-fluoro-4-(methylamino)pentan-3-one
PubChem CID122674507
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(4S)-2-fluoro-4-(methylamino)pentan-3-one
SMILESCN[C@@H](C)C(=O)C(C)F
InChIInChI=1S/C6H12FNO/c1-4(7)6(9)5(2)8-3/h4-5,8H,1-3H3/t4?,5-/m0/s1
InChIKeyTULDXRVVKHFUTG-AKGZTFGVSA-N
XLogP0.52
TPSA29.10 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 ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-fluoro-4-(methylamino)pentan-3-one?
The IUPAC name of (4S)-2-fluoro-4-(methylamino)pentan-3-one (CID 122674507) is (4S)-2-fluoro-4-(methylamino)pentan-3-one.
What is the SMILES notation for (4S)-2-fluoro-4-(methylamino)pentan-3-one?
The canonical SMILES for (4S)-2-fluoro-4-(methylamino)pentan-3-one is CN[C@@H](C)C(=O)C(C)F.
What is the InChIKey of (4S)-2-fluoro-4-(methylamino)pentan-3-one?
The InChIKey is TULDXRVVKHFUTG-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H12FNO/c1-4(7)6(9)5(2)8-3/h4-5,8H,1-3H3/t4?,5-/m0/s1.
What are the key properties of (4S)-2-fluoro-4-(methylamino)pentan-3-one?
(4S)-2-fluoro-4-(methylamino)pentan-3-one has a molecular weight of 133.17 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-fluoro-4-(methylamino)pentan-3-one is sourced from PubChem (CID 122674507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).