1-amino-4,4,4-trifluoro-3-methylbutan-2-ol

C5H10F3NO — CID 83905243

IUPAC1-amino-4,4,4-trifluoro-3-methylbutan-2-ol
SMILESCC(C(O)CN)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-3(4(10)2-9)5(6,7)8/h3-4,10H,2,9H2,1H3
InChIKeyNKOZZFXVQGZSII-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.50
Rot. Bonds2

About 1-amino-4,4,4-trifluoro-3-methylbutan-2-ol

1-amino-4,4,4-trifluoro-3-methylbutan-2-ol (PubChem CID 83905243) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 1-amino-4,4,4-trifluoro-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4,4,4-trifluoro-3-methylbutan-2-ol
PubChem CID83905243
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name1-amino-4,4,4-trifluoro-3-methylbutan-2-ol
SMILESCC(C(O)CN)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-3(4(10)2-9)5(6,7)8/h3-4,10H,2,9H2,1H3
InChIKeyNKOZZFXVQGZSII-UHFFFAOYSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4,4,4-trifluoro-3-methylbutan-2-ol?
The IUPAC name of 1-amino-4,4,4-trifluoro-3-methylbutan-2-ol (CID 83905243) is 1-amino-4,4,4-trifluoro-3-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4,4,4-trifluoro-3-methylbutan-2-ol?
The canonical SMILES for 1-amino-4,4,4-trifluoro-3-methylbutan-2-ol is CC(C(O)CN)C(F)(F)F.
What is the InChIKey of 1-amino-4,4,4-trifluoro-3-methylbutan-2-ol?
The InChIKey is NKOZZFXVQGZSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-3(4(10)2-9)5(6,7)8/h3-4,10H,2,9H2,1H3.
What are the key properties of 1-amino-4,4,4-trifluoro-3-methylbutan-2-ol?
1-amino-4,4,4-trifluoro-3-methylbutan-2-ol has a molecular weight of 157.13 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4,4-trifluoro-3-methylbutan-2-ol is sourced from PubChem (CID 83905243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).