1-fluoro-3-(methylamino)pentan-2-one

C6H12FNO — CID 21137007

IUPAC1-fluoro-3-(methylamino)pentan-2-one
SMILESCCC(NC)C(=O)CF
InChIInChI=1S/C6H12FNO/c1-3-5(8-2)6(9)4-7/h5,8H,3-4H2,1-2H3
InChIKeyXVHPGWYWMFSMKM-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.52
Rot. Bonds4

About 1-fluoro-3-(methylamino)pentan-2-one

1-fluoro-3-(methylamino)pentan-2-one (PubChem CID 21137007) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 1-fluoro-3-(methylamino)pentan-2-one.

Molecular Properties

Compound Name1-fluoro-3-(methylamino)pentan-2-one
PubChem CID21137007
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name1-fluoro-3-(methylamino)pentan-2-one
SMILESCCC(NC)C(=O)CF
InChIInChI=1S/C6H12FNO/c1-3-5(8-2)6(9)4-7/h5,8H,3-4H2,1-2H3
InChIKeyXVHPGWYWMFSMKM-UHFFFAOYSA-N
XLogP0.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

5,5-Difluoro-3-(methylamino)pentan-2-one
CID 59493768
2-Methylamino-3-butanone
CID 21639832
4-Methyl-3-(methylamino)pentan-2-one
CID 3268737
2-(Methylamino)pentan-3-one
CID 12247385
(3S)-3-(methylamino)butan-2-one
CID 29920158
1-(Propan-2-ylamino)butan-2-one
CID 83635313
1,1,1-Trifluoro-3-(methylamino)butan-2-one
CID 18721931
3-Amino-1-fluoropentan-2-one
CID 22955014
(2S)-2-(methylamino)propanoyl fluoride
CID 57602084
2-(Methylamino)propanoyl fluoride
CID 76622877
5,5,5-Trifluoro-4-methyl-3-(methylamino)pentan-2-one
CID 118122117
5-Amino-4-fluoro-3-(methylamino)pentan-2-one
CID 121246260

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(methylamino)pentan-2-one?
The IUPAC name of 1-fluoro-3-(methylamino)pentan-2-one (CID 21137007) is 1-fluoro-3-(methylamino)pentan-2-one.
What is the SMILES notation for 1-fluoro-3-(methylamino)pentan-2-one?
The canonical SMILES for 1-fluoro-3-(methylamino)pentan-2-one is CCC(NC)C(=O)CF.
What is the InChIKey of 1-fluoro-3-(methylamino)pentan-2-one?
The InChIKey is XVHPGWYWMFSMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-3-5(8-2)6(9)4-7/h5,8H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-3-(methylamino)pentan-2-one?
1-fluoro-3-(methylamino)pentan-2-one has a molecular weight of 133.17 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(methylamino)pentan-2-one is sourced from PubChem (CID 21137007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).