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

C4H9F2NO — CID 123788525

IUPAC1-amino-3,3-difluorobutan-2-ol
SMILESCC(F)(F)C(O)CN
InChIInChI=1S/C4H9F2NO/c1-4(5,6)3(8)2-7/h3,8H,2,7H2,1H3
InChIKeyZYGRRLAIWNYDKA-UHFFFAOYSA-N
MW125.12 g/mol
LogP-0.04
Rot. Bonds2

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

1-amino-3,3-difluorobutan-2-ol (PubChem CID 123788525) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 1-amino-3,3-difluorobutan-2-ol.

Molecular Properties

Compound Name1-amino-3,3-difluorobutan-2-ol
PubChem CID123788525
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name1-amino-3,3-difluorobutan-2-ol
SMILESCC(F)(F)C(O)CN
InChIInChI=1S/C4H9F2NO/c1-4(5,6)3(8)2-7/h3,8H,2,7H2,1H3
InChIKeyZYGRRLAIWNYDKA-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 1-amino-3,3-difluorobutan-2-ol?
The IUPAC name of 1-amino-3,3-difluorobutan-2-ol (CID 123788525) is 1-amino-3,3-difluorobutan-2-ol.
What is the SMILES notation for 1-amino-3,3-difluorobutan-2-ol?
The canonical SMILES for 1-amino-3,3-difluorobutan-2-ol is CC(F)(F)C(O)CN.
What is the InChIKey of 1-amino-3,3-difluorobutan-2-ol?
The InChIKey is ZYGRRLAIWNYDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c1-4(5,6)3(8)2-7/h3,8H,2,7H2,1H3.
What are the key properties of 1-amino-3,3-difluorobutan-2-ol?
1-amino-3,3-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 1-amino-3,3-difluorobutan-2-ol is sourced from PubChem (CID 123788525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).