(2S)-2-amino-4-fluorobutan-1-ol

C4H10FNO — CID 96551535

IUPAC(2S)-2-amino-4-fluorobutan-1-ol
SMILESN[C@H](CO)CCF
InChIInChI=1S/C4H10FNO/c5-2-1-4(6)3-7/h4,7H,1-3,6H2/t4-/m0/s1
InChIKeyDDKVDMVGGZCZEP-BYPYZUCNSA-N
MW107.13 g/mol
LogP-0.33
Rot. Bonds3

About (2S)-2-amino-4-fluorobutan-1-ol

(2S)-2-amino-4-fluorobutan-1-ol (PubChem CID 96551535) has the molecular formula C4H10FNO and a molecular weight of 107.13 g/mol. Its IUPAC name is (2S)-2-amino-4-fluorobutan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-4-fluorobutan-1-ol
PubChem CID96551535
Molecular FormulaC4H10FNO
Molecular Weight107.13 g/mol
Exact Mass107.07
IUPAC Name(2S)-2-amino-4-fluorobutan-1-ol
SMILESN[C@H](CO)CCF
InChIInChI=1S/C4H10FNO/c5-2-1-4(6)3-7/h4,7H,1-3,6H2/t4-/m0/s1
InChIKeyDDKVDMVGGZCZEP-BYPYZUCNSA-N
XLogP-0.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-fluorobutan-1-ol?
The IUPAC name of (2S)-2-amino-4-fluorobutan-1-ol (CID 96551535) is (2S)-2-amino-4-fluorobutan-1-ol.
What is the SMILES notation for (2S)-2-amino-4-fluorobutan-1-ol?
The canonical SMILES for (2S)-2-amino-4-fluorobutan-1-ol is N[C@H](CO)CCF.
What is the InChIKey of (2S)-2-amino-4-fluorobutan-1-ol?
The InChIKey is DDKVDMVGGZCZEP-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H10FNO/c5-2-1-4(6)3-7/h4,7H,1-3,6H2/t4-/m0/s1.
What are the key properties of (2S)-2-amino-4-fluorobutan-1-ol?
(2S)-2-amino-4-fluorobutan-1-ol has a molecular weight of 107.13 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-fluorobutan-1-ol is sourced from PubChem (CID 96551535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).