4-amino-3,3-difluoro-2-methylbutan-2-ol

C5H11F2NO — CID 90134673

IUPAC4-amino-3,3-difluoro-2-methylbutan-2-ol
SMILESCC(C)(O)C(F)(F)CN
InChIInChI=1S/C5H11F2NO/c1-4(2,9)5(6,7)3-8/h9H,3,8H2,1-2H3
InChIKeyIIGYDTDOGNKCHP-UHFFFAOYSA-N
MW139.14 g/mol
LogP0.35
Rot. Bonds2

About 4-amino-3,3-difluoro-2-methylbutan-2-ol

4-amino-3,3-difluoro-2-methylbutan-2-ol (PubChem CID 90134673) has the molecular formula C5H11F2NO and a molecular weight of 139.14 g/mol. Its IUPAC name is 4-amino-3,3-difluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-amino-3,3-difluoro-2-methylbutan-2-ol
PubChem CID90134673
Molecular FormulaC5H11F2NO
Molecular Weight139.14 g/mol
Exact Mass139.08
IUPAC Name4-amino-3,3-difluoro-2-methylbutan-2-ol
SMILESCC(C)(O)C(F)(F)CN
InChIInChI=1S/C5H11F2NO/c1-4(2,9)5(6,7)3-8/h9H,3,8H2,1-2H3
InChIKeyIIGYDTDOGNKCHP-UHFFFAOYSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.14
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-difluoro-2-methylbutan-2-ol?
The IUPAC name of 4-amino-3,3-difluoro-2-methylbutan-2-ol (CID 90134673) is 4-amino-3,3-difluoro-2-methylbutan-2-ol.
What is the SMILES notation for 4-amino-3,3-difluoro-2-methylbutan-2-ol?
The canonical SMILES for 4-amino-3,3-difluoro-2-methylbutan-2-ol is CC(C)(O)C(F)(F)CN.
What is the InChIKey of 4-amino-3,3-difluoro-2-methylbutan-2-ol?
The InChIKey is IIGYDTDOGNKCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-4(2,9)5(6,7)3-8/h9H,3,8H2,1-2H3.
What are the key properties of 4-amino-3,3-difluoro-2-methylbutan-2-ol?
4-amino-3,3-difluoro-2-methylbutan-2-ol has a molecular weight of 139.14 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-difluoro-2-methylbutan-2-ol is sourced from PubChem (CID 90134673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).