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

C4H9F2NO — CID 90776814

IUPAC4-amino-1,3-difluorobutan-2-ol
SMILESNCC(F)C(O)CF
InChIInChI=1S/C4H9F2NO/c5-1-4(8)3(6)2-7/h3-4,8H,1-2,7H2
InChIKeyVHGRCTCXCJSXRE-UHFFFAOYSA-N
MW125.12 g/mol
LogP-0.39
Rot. Bonds3

About 4-amino-1,3-difluorobutan-2-ol

4-amino-1,3-difluorobutan-2-ol (PubChem CID 90776814) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 4-amino-1,3-difluorobutan-2-ol.

Molecular Properties

Compound Name4-amino-1,3-difluorobutan-2-ol
PubChem CID90776814
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name4-amino-1,3-difluorobutan-2-ol
SMILESNCC(F)C(O)CF
InChIInChI=1S/C4H9F2NO/c5-1-4(8)3(6)2-7/h3-4,8H,1-2,7H2
InChIKeyVHGRCTCXCJSXRE-UHFFFAOYSA-N
XLogP-0.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-difluorobutan-2-ol?
The IUPAC name of 4-amino-1,3-difluorobutan-2-ol (CID 90776814) is 4-amino-1,3-difluorobutan-2-ol.
What is the SMILES notation for 4-amino-1,3-difluorobutan-2-ol?
The canonical SMILES for 4-amino-1,3-difluorobutan-2-ol is NCC(F)C(O)CF.
What is the InChIKey of 4-amino-1,3-difluorobutan-2-ol?
The InChIKey is VHGRCTCXCJSXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c5-1-4(8)3(6)2-7/h3-4,8H,1-2,7H2.
What are the key properties of 4-amino-1,3-difluorobutan-2-ol?
4-amino-1,3-difluorobutan-2-ol has a molecular weight of 125.12 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-difluorobutan-2-ol is sourced from PubChem (CID 90776814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).