3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol

C9H10F3NO — CID 21024138

IUPAC3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol
SMILESNCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)8(14,6-13)7-4-2-1-3-5-7/h1-5,14H,6,13H2
InChIKeyDKZXEFKUTNBVTE-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.40
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol

3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol (PubChem CID 21024138) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol
PubChem CID21024138
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol
SMILESNCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)8(14,6-13)7-4-2-1-3-5-7/h1-5,14H,6,13H2
InChIKeyDKZXEFKUTNBVTE-UHFFFAOYSA-N
XLogP1.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol (CID 21024138) is 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol is NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol?
The InChIKey is DKZXEFKUTNBVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)8(14,6-13)7-4-2-1-3-5-7/h1-5,14H,6,13H2.
What are the key properties of 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol?
3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol has a molecular weight of 205.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol is sourced from PubChem (CID 21024138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).