4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol

C10H11F4NO — CID 83919123

IUPAC4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol
SMILESNCCC(O)(c1ccccc1F)C(F)(F)F
InChIInChI=1S/C10H11F4NO/c11-8-4-2-1-3-7(8)9(16,5-6-15)10(12,13)14/h1-4,16H,5-6,15H2
InChIKeyGJSSGSBZBMDVGV-UHFFFAOYSA-N
MW237.20 g/mol
LogP1.92
Rot. Bonds3

About 4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol

4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol (PubChem CID 83919123) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is 4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol
PubChem CID83919123
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol
SMILESNCCC(O)(c1ccccc1F)C(F)(F)F
InChIInChI=1S/C10H11F4NO/c11-8-4-2-1-3-7(8)9(16,5-6-15)10(12,13)14/h1-4,16H,5-6,15H2
InChIKeyGJSSGSBZBMDVGV-UHFFFAOYSA-N
XLogP1.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol?
The IUPAC name of 4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol (CID 83919123) is 4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol.
What is the SMILES notation for 4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol?
The canonical SMILES for 4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol is NCCC(O)(c1ccccc1F)C(F)(F)F.
What is the InChIKey of 4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol?
The InChIKey is GJSSGSBZBMDVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c11-8-4-2-1-3-7(8)9(16,5-6-15)10(12,13)14/h1-4,16H,5-6,15H2.
What are the key properties of 4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol?
4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol has a molecular weight of 237.20 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1,1-trifluoro-2-(2-fluorophenyl)butan-2-ol is sourced from PubChem (CID 83919123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).