acetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol

C7H15F2NO2 — CID 54155867

IUPACacetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol
SMILESCC(=O)F.CNC(C)C(O)CF
InChIInChI=1S/C5H12FNO.C2H3FO/c1-4(7-2)5(8)3-6;1-2(3)4/h4-5,7-8H,3H2,1-2H3;1H3
InChIKeyOKZUQKQYTPYYPI-UHFFFAOYSA-N
MW183.20 g/mol
LogP0.43
Rot. Bonds3

About acetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol

acetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol (PubChem CID 54155867) has the molecular formula C7H15F2NO2 and a molecular weight of 183.20 g/mol. Its IUPAC name is acetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol.

Molecular Properties

Compound Nameacetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol
PubChem CID54155867
Molecular FormulaC7H15F2NO2
Molecular Weight183.20 g/mol
Exact Mass183.11
IUPAC Nameacetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol
SMILESCC(=O)F.CNC(C)C(O)CF
InChIInChI=1S/C5H12FNO.C2H3FO/c1-4(7-2)5(8)3-6;1-2(3)4/h4-5,7-8H,3H2,1-2H3;1H3
InChIKeyOKZUQKQYTPYYPI-UHFFFAOYSA-N
XLogP0.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-3-methyl-6-(methylamino)heptan-2-one
CID 20601498
acetyl fluoride;1-fluoro-3-(methylamino)butan-2-one
CID 54224329
bis(pentane-2,4-dione);bis(propan-2-ol);zirconium
CID 157051776
N-methylacetamide;1-(methylamino)ethanol
CID 159501218
acetyl fluoride;hydrochloride
CID 157205007
(2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid
CID 59090067
CID 166448994
CID 166448994
N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
CID 55301756
4-hydroxy-3-(methylamino)pentan-2-one
CID 22981507
1,1,5-trifluoro-3-methylpentane-2,4-diol
CID 87694128
1-(methylamino)ethanol;propanoic acid
CID 173051443
pentane-2,4-dione;tris(propan-2-ol);titanium
CID 88807291

Frequently Asked Questions

What is the IUPAC name of acetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol?
The IUPAC name of acetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol (CID 54155867) is acetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol.
What is the SMILES notation for acetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol?
The canonical SMILES for acetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol is CC(=O)F.CNC(C)C(O)CF.
What is the InChIKey of acetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol?
The InChIKey is OKZUQKQYTPYYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO.C2H3FO/c1-4(7-2)5(8)3-6;1-2(3)4/h4-5,7-8H,3H2,1-2H3;1H3.
What are the key properties of acetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol?
acetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol has a molecular weight of 183.20 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol is sourced from PubChem (CID 54155867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).