2-(aminomethyl)-3-fluorobutan-1-ol

C5H12FNO — CID 123569861

IUPAC2-(aminomethyl)-3-fluorobutan-1-ol
SMILESCC(F)C(CN)CO
InChIInChI=1S/C5H12FNO/c1-4(6)5(2-7)3-8/h4-5,8H,2-3,7H2,1H3
InChIKeyLZGSTYOHXXVBGC-UHFFFAOYSA-N
MW121.15 g/mol
LogP-0.09
Rot. Bonds3

About 2-(aminomethyl)-3-fluorobutan-1-ol

2-(aminomethyl)-3-fluorobutan-1-ol (PubChem CID 123569861) has the molecular formula C5H12FNO and a molecular weight of 121.15 g/mol. Its IUPAC name is 2-(aminomethyl)-3-fluorobutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-fluorobutan-1-ol
PubChem CID123569861
Molecular FormulaC5H12FNO
Molecular Weight121.15 g/mol
Exact Mass121.09
IUPAC Name2-(aminomethyl)-3-fluorobutan-1-ol
SMILESCC(F)C(CN)CO
InChIInChI=1S/C5H12FNO/c1-4(6)5(2-7)3-8/h4-5,8H,2-3,7H2,1H3
InChIKeyLZGSTYOHXXVBGC-UHFFFAOYSA-N
XLogP-0.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-fluorobutan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-fluorobutan-1-ol (CID 123569861) is 2-(aminomethyl)-3-fluorobutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-fluorobutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-fluorobutan-1-ol is CC(F)C(CN)CO.
What is the InChIKey of 2-(aminomethyl)-3-fluorobutan-1-ol?
The InChIKey is LZGSTYOHXXVBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-4(6)5(2-7)3-8/h4-5,8H,2-3,7H2,1H3.
What are the key properties of 2-(aminomethyl)-3-fluorobutan-1-ol?
2-(aminomethyl)-3-fluorobutan-1-ol has a molecular weight of 121.15 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-fluorobutan-1-ol is sourced from PubChem (CID 123569861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).