acetyl fluoride;1-aminobutan-1-ol

C6H14FNO2 — CID 174904126

IUPACacetyl fluoride;1-aminobutan-1-ol
SMILESCC(=O)F.CCCC(N)O
InChIInChI=1S/C4H11NO.C2H3FO/c1-2-3-4(5)6;1-2(3)4/h4,6H,2-3,5H2,1H3;1H3
InChIKeyZMXQMQACNOCIAY-UHFFFAOYSA-N
MW151.18 g/mol
LogP0.57
Rot. Bonds2

About acetyl fluoride;1-aminobutan-1-ol

acetyl fluoride;1-aminobutan-1-ol (PubChem CID 174904126) has the molecular formula C6H14FNO2 and a molecular weight of 151.18 g/mol. Its IUPAC name is acetyl fluoride;1-aminobutan-1-ol.

Molecular Properties

Compound Nameacetyl fluoride;1-aminobutan-1-ol
PubChem CID174904126
Molecular FormulaC6H14FNO2
Molecular Weight151.18 g/mol
Exact Mass151.10
IUPAC Nameacetyl fluoride;1-aminobutan-1-ol
SMILESCC(=O)F.CCCC(N)O
InChIInChI=1S/C4H11NO.C2H3FO/c1-2-3-4(5)6;1-2(3)4/h4,6H,2-3,5H2,1H3;1H3
InChIKeyZMXQMQACNOCIAY-UHFFFAOYSA-N
XLogP0.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-amino-3-hydroxyheptan-2-one
CID 58331979
1-aminobutan-1-ol;1-(methylamino)ethanol
CID 157231135
(2S,3S)-3-amino-2-hydroxyhexanoic acid
CID 11205843
1-amino-4,5-dimethyloctan-1-ol
CID 88903955
methyl (2S,3R)-3-amino-2-hydroxyhexanoate
CID 56605369
(3S,4S)-4-amino-3-hydroxyheptanoic acid
CID 14753776
ethane;ethyl 3-amino-2-hydroxyhexanoate
CID 143089421
3-hydroxyhexan-2-one
CID 15525237
2-[(1S)-1-aminobutyl]propanedioic acid
CID 118535919
acetic acid;azane;butane-1,1-diamine;zinc
CID 175160403
(4R,5R)-octane-4,5-diamine
CID 13138963
methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride
CID 90189651

Frequently Asked Questions

What is the IUPAC name of acetyl fluoride;1-aminobutan-1-ol?
The IUPAC name of acetyl fluoride;1-aminobutan-1-ol (CID 174904126) is acetyl fluoride;1-aminobutan-1-ol.
What is the SMILES notation for acetyl fluoride;1-aminobutan-1-ol?
The canonical SMILES for acetyl fluoride;1-aminobutan-1-ol is CC(=O)F.CCCC(N)O.
What is the InChIKey of acetyl fluoride;1-aminobutan-1-ol?
The InChIKey is ZMXQMQACNOCIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C2H3FO/c1-2-3-4(5)6;1-2(3)4/h4,6H,2-3,5H2,1H3;1H3.
What are the key properties of acetyl fluoride;1-aminobutan-1-ol?
acetyl fluoride;1-aminobutan-1-ol has a molecular weight of 151.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl fluoride;1-aminobutan-1-ol is sourced from PubChem (CID 174904126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).