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

C5H10F3NO3 — CID 87715709

IUPAC3-aminopropan-1-ol;2,2,2-trifluoroacetic acid
SMILESNCCCO.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9NO.C2HF3O2/c4-2-1-3-5;3-2(4,5)1(6)7/h5H,1-4H2;(H,6,7)
InChIKeyLOGCADSYSZLQSW-UHFFFAOYSA-N
MW189.13 g/mol
LogP-0.04
Rot. Bonds2

About 3-aminopropan-1-ol;2,2,2-trifluoroacetic acid

3-aminopropan-1-ol;2,2,2-trifluoroacetic acid (PubChem CID 87715709) has the molecular formula C5H10F3NO3 and a molecular weight of 189.13 g/mol. Its IUPAC name is 3-aminopropan-1-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-aminopropan-1-ol;2,2,2-trifluoroacetic acid
PubChem CID87715709
Molecular FormulaC5H10F3NO3
Molecular Weight189.13 g/mol
Exact Mass189.06
IUPAC Name3-aminopropan-1-ol;2,2,2-trifluoroacetic acid
SMILESNCCCO.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9NO.C2HF3O2/c4-2-1-3-5;3-2(4,5)1(6)7/h5H,1-4H2;(H,6,7)
InChIKeyLOGCADSYSZLQSW-UHFFFAOYSA-N
XLogP-0.04
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
3-aminopropan-1-ol;2,2-dimethylpropanoic acid
CID 88610615
butan-1-ol;2,2,2-trifluoroacetic acid
CID 87831039
dodecan-1-amine;2,2,2-trifluoroacetic acid
CID 71401775
octan-1-ol;2,2,2-trifluoroacetic acid
CID 87098576
bis(4-aminobutanamide);2-aminopropanedioic acid;2,2,2-trifluoroacetic acid
CID 170987623
7-aminohept-2-enoic acid;2,2,2-trifluoroacetic acid
CID 171151929
2-aminoacetaldehyde;2,2,2-trifluoroacetic acid
CID 171923069
3-aminopropan-1-ol;ethane
CID 91172061
sodium;3-aminopropan-1-ol;hydride
CID 173357693
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837

Frequently Asked Questions

What is the IUPAC name of 3-aminopropan-1-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-aminopropan-1-ol;2,2,2-trifluoroacetic acid (CID 87715709) is 3-aminopropan-1-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-aminopropan-1-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-aminopropan-1-ol;2,2,2-trifluoroacetic acid is NCCCO.O=C(O)C(F)(F)F.
What is the InChIKey of 3-aminopropan-1-ol;2,2,2-trifluoroacetic acid?
The InChIKey is LOGCADSYSZLQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C2HF3O2/c4-2-1-3-5;3-2(4,5)1(6)7/h5H,1-4H2;(H,6,7).
What are the key properties of 3-aminopropan-1-ol;2,2,2-trifluoroacetic acid?
3-aminopropan-1-ol;2,2,2-trifluoroacetic acid has a molecular weight of 189.13 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropan-1-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87715709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).