propane-1,3-diamine;2,2,2-trifluoroacetic acid

C5H11F3N2O2 — CID 87485831

IUPACpropane-1,3-diamine;2,2,2-trifluoroacetic acid
SMILESNCCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C3H10N2.C2HF3O2/c4-2-1-3-5;3-2(4,5)1(6)7/h1-5H2;(H,6,7)
InChIKeyJKUDDTIACGQCHO-UHFFFAOYSA-N
MW188.15 g/mol
LogP-0.07
Rot. Bonds2

About propane-1,3-diamine;2,2,2-trifluoroacetic acid

propane-1,3-diamine;2,2,2-trifluoroacetic acid (PubChem CID 87485831) has the molecular formula C5H11F3N2O2 and a molecular weight of 188.15 g/mol. Its IUPAC name is propane-1,3-diamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepropane-1,3-diamine;2,2,2-trifluoroacetic acid
PubChem CID87485831
Molecular FormulaC5H11F3N2O2
Molecular Weight188.15 g/mol
Exact Mass188.08
IUPAC Namepropane-1,3-diamine;2,2,2-trifluoroacetic acid
SMILESNCCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C3H10N2.C2HF3O2/c4-2-1-3-5;3-2(4,5)1(6)7/h1-5H2;(H,6,7)
InChIKeyJKUDDTIACGQCHO-UHFFFAOYSA-N
XLogP-0.07
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propane-1,3-diamine;2,2,2-trifluoroacetic acid?
The IUPAC name of propane-1,3-diamine;2,2,2-trifluoroacetic acid (CID 87485831) is propane-1,3-diamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for propane-1,3-diamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for propane-1,3-diamine;2,2,2-trifluoroacetic acid is NCCCN.O=C(O)C(F)(F)F.
What is the InChIKey of propane-1,3-diamine;2,2,2-trifluoroacetic acid?
The InChIKey is JKUDDTIACGQCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.C2HF3O2/c4-2-1-3-5;3-2(4,5)1(6)7/h1-5H2;(H,6,7).
What are the key properties of propane-1,3-diamine;2,2,2-trifluoroacetic acid?
propane-1,3-diamine;2,2,2-trifluoroacetic acid has a molecular weight of 188.15 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,3-diamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87485831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).