1-fluoro-4-(methylamino)butan-2-one

C5H10FNO — CID 145162273

IUPAC1-fluoro-4-(methylamino)butan-2-one
SMILESCNCCC(=O)CF
InChIInChI=1S/C5H10FNO/c1-7-3-2-5(8)4-6/h7H,2-4H2,1H3
InChIKeyCKCSRZHDIRVSLL-UHFFFAOYSA-N
MW119.14 g/mol
LogP0.13
Rot. Bonds4

About 1-fluoro-4-(methylamino)butan-2-one

1-fluoro-4-(methylamino)butan-2-one (PubChem CID 145162273) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is 1-fluoro-4-(methylamino)butan-2-one.

Molecular Properties

Compound Name1-fluoro-4-(methylamino)butan-2-one
PubChem CID145162273
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC Name1-fluoro-4-(methylamino)butan-2-one
SMILESCNCCC(=O)CF
InChIInChI=1S/C5H10FNO/c1-7-3-2-5(8)4-6/h7H,2-4H2,1H3
InChIKeyCKCSRZHDIRVSLL-UHFFFAOYSA-N
XLogP0.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(methylamino)butan-2-one?
The IUPAC name of 1-fluoro-4-(methylamino)butan-2-one (CID 145162273) is 1-fluoro-4-(methylamino)butan-2-one.
What is the SMILES notation for 1-fluoro-4-(methylamino)butan-2-one?
The canonical SMILES for 1-fluoro-4-(methylamino)butan-2-one is CNCCC(=O)CF.
What is the InChIKey of 1-fluoro-4-(methylamino)butan-2-one?
The InChIKey is CKCSRZHDIRVSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO/c1-7-3-2-5(8)4-6/h7H,2-4H2,1H3.
What are the key properties of 1-fluoro-4-(methylamino)butan-2-one?
1-fluoro-4-(methylamino)butan-2-one has a molecular weight of 119.14 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(methylamino)butan-2-one is sourced from PubChem (CID 145162273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).