2-amino-3,3-difluorobutan-1-ol

C4H9F2NO — CID 84731072

IUPAC2-amino-3,3-difluorobutan-1-ol
SMILESCC(F)(F)C(N)CO
InChIInChI=1S/C4H9F2NO/c1-4(5,6)3(7)2-8/h3,8H,2,7H2,1H3
InChIKeyYXWPOQAPFXQHMZ-UHFFFAOYSA-N
MW125.12 g/mol
LogP-0.04
Rot. Bonds2

About 2-amino-3,3-difluorobutan-1-ol

2-amino-3,3-difluorobutan-1-ol (PubChem CID 84731072) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 2-amino-3,3-difluorobutan-1-ol.

Molecular Properties

Compound Name2-amino-3,3-difluorobutan-1-ol
PubChem CID84731072
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name2-amino-3,3-difluorobutan-1-ol
SMILESCC(F)(F)C(N)CO
InChIInChI=1S/C4H9F2NO/c1-4(5,6)3(7)2-8/h3,8H,2,7H2,1H3
InChIKeyYXWPOQAPFXQHMZ-UHFFFAOYSA-N
XLogP-0.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-difluorobutan-1-ol?
The IUPAC name of 2-amino-3,3-difluorobutan-1-ol (CID 84731072) is 2-amino-3,3-difluorobutan-1-ol.
What is the SMILES notation for 2-amino-3,3-difluorobutan-1-ol?
The canonical SMILES for 2-amino-3,3-difluorobutan-1-ol is CC(F)(F)C(N)CO.
What is the InChIKey of 2-amino-3,3-difluorobutan-1-ol?
The InChIKey is YXWPOQAPFXQHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c1-4(5,6)3(7)2-8/h3,8H,2,7H2,1H3.
What are the key properties of 2-amino-3,3-difluorobutan-1-ol?
2-amino-3,3-difluorobutan-1-ol has a molecular weight of 125.12 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-difluorobutan-1-ol is sourced from PubChem (CID 84731072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).