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

C4H9F2NO — CID 47003183

IUPAC3-amino-1,1-difluorobutan-2-ol
SMILESCC(N)C(O)C(F)F
InChIInChI=1S/C4H9F2NO/c1-2(7)3(8)4(5)6/h2-4,8H,7H2,1H3
InChIKeySOYUYPDTPGLAEE-UHFFFAOYSA-N
MW125.12 g/mol
LogP-0.04
Rot. Bonds2

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

3-amino-1,1-difluorobutan-2-ol (PubChem CID 47003183) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 3-amino-1,1-difluorobutan-2-ol.

Molecular Properties

Compound Name3-amino-1,1-difluorobutan-2-ol
PubChem CID47003183
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name3-amino-1,1-difluorobutan-2-ol
SMILESCC(N)C(O)C(F)F
InChIInChI=1S/C4H9F2NO/c1-2(7)3(8)4(5)6/h2-4,8H,7H2,1H3
InChIKeySOYUYPDTPGLAEE-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 3-amino-1,1-difluorobutan-2-ol?
The IUPAC name of 3-amino-1,1-difluorobutan-2-ol (CID 47003183) is 3-amino-1,1-difluorobutan-2-ol.
What is the SMILES notation for 3-amino-1,1-difluorobutan-2-ol?
The canonical SMILES for 3-amino-1,1-difluorobutan-2-ol is CC(N)C(O)C(F)F.
What is the InChIKey of 3-amino-1,1-difluorobutan-2-ol?
The InChIKey is SOYUYPDTPGLAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c1-2(7)3(8)4(5)6/h2-4,8H,7H2,1H3.
What are the key properties of 3-amino-1,1-difluorobutan-2-ol?
3-amino-1,1-difluorobutan-2-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 3-amino-1,1-difluorobutan-2-ol is sourced from PubChem (CID 47003183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).