propan-1-amine;bis(2,2,2-trifluoroacetic acid)

C7H11F6NO4 — CID 172699050

IUPACpropan-1-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCCCN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9N.2C2HF3O2/c1-2-3-4;2*3-2(4,5)1(6)7/h2-4H2,1H3;2*(H,6,7)
InChIKeyCSERJJQWBZPGIP-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.62
Rot. Bonds1

About propan-1-amine;bis(2,2,2-trifluoroacetic acid)

propan-1-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 172699050) has the molecular formula C7H11F6NO4 and a molecular weight of 287.16 g/mol. Its IUPAC name is propan-1-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namepropan-1-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID172699050
Molecular FormulaC7H11F6NO4
Molecular Weight287.16 g/mol
Exact Mass287.06
IUPAC Namepropan-1-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCCCN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C3H9N.2C2HF3O2/c1-2-3-4;2*3-2(4,5)1(6)7/h2-4H2,1H3;2*(H,6,7)
InChIKeyCSERJJQWBZPGIP-UHFFFAOYSA-N
XLogP1.62
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-1-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of propan-1-amine;bis(2,2,2-trifluoroacetic acid) (CID 172699050) is propan-1-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for propan-1-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for propan-1-amine;bis(2,2,2-trifluoroacetic acid) is CCCN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of propan-1-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is CSERJJQWBZPGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.2C2HF3O2/c1-2-3-4;2*3-2(4,5)1(6)7/h2-4H2,1H3;2*(H,6,7).
What are the key properties of propan-1-amine;bis(2,2,2-trifluoroacetic acid)?
propan-1-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 287.16 g/mol, XLogP of 1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 172699050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).