2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide

C6H13F3INO2 — CID 173177783

IUPAC2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
SMILESCC(C)(C)N.I.O=C(O)C(F)(F)F
InChIInChI=1S/C4H11N.C2HF3O2.HI/c1-4(2,3)5;3-2(4,5)1(6)7;/h5H2,1-3H3;(H,6,7);1H
InChIKeyQWDCTMMBZOLFEX-UHFFFAOYSA-N
MW315.07 g/mol
LogP1.99
Rot. Bonds

About 2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide

2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide (PubChem CID 173177783) has the molecular formula C6H13F3INO2 and a molecular weight of 315.07 g/mol. Its IUPAC name is 2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide.

Molecular Properties

Compound Name2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
PubChem CID173177783
Molecular FormulaC6H13F3INO2
Molecular Weight315.07 g/mol
Exact Mass314.99
IUPAC Name2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
SMILESCC(C)(C)N.I.O=C(O)C(F)(F)F
InChIInChI=1S/C4H11N.C2HF3O2.HI/c1-4(2,3)5;3-2(4,5)1(6)7;/h5H2,1-3H3;(H,6,7);1H
InChIKeyQWDCTMMBZOLFEX-UHFFFAOYSA-N
XLogP1.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.07
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide?
The IUPAC name of 2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide (CID 173177783) is 2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide.
What is the SMILES notation for 2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide?
The canonical SMILES for 2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide is CC(C)(C)N.I.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide?
The InChIKey is QWDCTMMBZOLFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2HF3O2.HI/c1-4(2,3)5;3-2(4,5)1(6)7;/h5H2,1-3H3;(H,6,7);1H.
What are the key properties of 2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide?
2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide has a molecular weight of 315.07 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide is sourced from PubChem (CID 173177783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).