1-aminopropan-2-ol;2,2,2-trifluoroacetic acid

C5H10F3NO3 — CID 174443957

IUPAC1-aminopropan-2-ol;2,2,2-trifluoroacetic acid
SMILESCC(O)CN.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9NO.C2HF3O2/c1-3(5)2-4;3-2(4,5)1(6)7/h3,5H,2,4H2,1H3;(H,6,7)
InChIKeyZGVXMAIBFURXPQ-UHFFFAOYSA-N
MW189.13 g/mol
LogP-0.04
Rot. Bonds1

About 1-aminopropan-2-ol;2,2,2-trifluoroacetic acid

1-aminopropan-2-ol;2,2,2-trifluoroacetic acid (PubChem CID 174443957) has the molecular formula C5H10F3NO3 and a molecular weight of 189.13 g/mol. Its IUPAC name is 1-aminopropan-2-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-aminopropan-2-ol;2,2,2-trifluoroacetic acid
PubChem CID174443957
Molecular FormulaC5H10F3NO3
Molecular Weight189.13 g/mol
Exact Mass189.06
IUPAC Name1-aminopropan-2-ol;2,2,2-trifluoroacetic acid
SMILESCC(O)CN.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9NO.C2HF3O2/c1-3(5)2-4;3-2(4,5)1(6)7/h3,5H,2,4H2,1H3;(H,6,7)
InChIKeyZGVXMAIBFURXPQ-UHFFFAOYSA-N
XLogP-0.04
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-aminopropan-2-ol;2,2,2-trifluoroacetic acid (CID 174443957) is 1-aminopropan-2-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-aminopropan-2-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-aminopropan-2-ol;2,2,2-trifluoroacetic acid is CC(O)CN.O=C(O)C(F)(F)F.
What is the InChIKey of 1-aminopropan-2-ol;2,2,2-trifluoroacetic acid?
The InChIKey is ZGVXMAIBFURXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C2HF3O2/c1-3(5)2-4;3-2(4,5)1(6)7/h3,5H,2,4H2,1H3;(H,6,7).
What are the key properties of 1-aminopropan-2-ol;2,2,2-trifluoroacetic acid?
1-aminopropan-2-ol;2,2,2-trifluoroacetic acid has a molecular weight of 189.13 g/mol, XLogP of -0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174443957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).