1-fluoro-3-iminobutan-2-ol

C4H8FNO — CID 88890969

IUPAC1-fluoro-3-iminobutan-2-ol
SMILES[H]/N=C(\C)C(O)CF
InChIInChI=1S/C4H8FNO/c1-3(6)4(7)2-5/h4,6-7H,2H2,1H3/b6-3+
InChIKeyRDZGOZMWGUGHFX-ZZXKWVIFSA-N
MW105.11 g/mol
LogP0.36
Rot. Bonds2

About 1-fluoro-3-iminobutan-2-ol

1-fluoro-3-iminobutan-2-ol (PubChem CID 88890969) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is 1-fluoro-3-iminobutan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-iminobutan-2-ol
PubChem CID88890969
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name1-fluoro-3-iminobutan-2-ol
SMILES[H]/N=C(\C)C(O)CF
InChIInChI=1S/C4H8FNO/c1-3(6)4(7)2-5/h4,6-7H,2H2,1H3/b6-3+
InChIKeyRDZGOZMWGUGHFX-ZZXKWVIFSA-N
XLogP0.36
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-iminobutan-2-ol?
The IUPAC name of 1-fluoro-3-iminobutan-2-ol (CID 88890969) is 1-fluoro-3-iminobutan-2-ol.
What is the SMILES notation for 1-fluoro-3-iminobutan-2-ol?
The canonical SMILES for 1-fluoro-3-iminobutan-2-ol is [H]/N=C(\C)C(O)CF.
What is the InChIKey of 1-fluoro-3-iminobutan-2-ol?
The InChIKey is RDZGOZMWGUGHFX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H8FNO/c1-3(6)4(7)2-5/h4,6-7H,2H2,1H3/b6-3+.
What are the key properties of 1-fluoro-3-iminobutan-2-ol?
1-fluoro-3-iminobutan-2-ol has a molecular weight of 105.11 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-iminobutan-2-ol is sourced from PubChem (CID 88890969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).