1,1,2-trifluorobutan-1-amine;hydroiodide

C4H9F3IN — CID 138607345

IUPAC1,1,2-trifluorobutan-1-amine;hydroiodide
SMILESCCC(F)C(N)(F)F.I
InChIInChI=1S/C4H8F3N.HI/c1-2-3(5)4(6,7)8;/h3H,2,8H2,1H3;1H
InChIKeyXSGKHZURXLJWTB-UHFFFAOYSA-N
MW255.02 g/mol
LogP1.90
Rot. Bonds2

About 1,1,2-trifluorobutan-1-amine;hydroiodide

1,1,2-trifluorobutan-1-amine;hydroiodide (PubChem CID 138607345) has the molecular formula C4H9F3IN and a molecular weight of 255.02 g/mol. Its IUPAC name is 1,1,2-trifluorobutan-1-amine;hydroiodide.

Molecular Properties

Compound Name1,1,2-trifluorobutan-1-amine;hydroiodide
PubChem CID138607345
Molecular FormulaC4H9F3IN
Molecular Weight255.02 g/mol
Exact Mass254.97
IUPAC Name1,1,2-trifluorobutan-1-amine;hydroiodide
SMILESCCC(F)C(N)(F)F.I
InChIInChI=1S/C4H8F3N.HI/c1-2-3(5)4(6,7)8;/h3H,2,8H2,1H3;1H
InChIKeyXSGKHZURXLJWTB-UHFFFAOYSA-N
XLogP1.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.02
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluorobutan-1-amine;hydroiodide?
The IUPAC name of 1,1,2-trifluorobutan-1-amine;hydroiodide (CID 138607345) is 1,1,2-trifluorobutan-1-amine;hydroiodide.
What is the SMILES notation for 1,1,2-trifluorobutan-1-amine;hydroiodide?
The canonical SMILES for 1,1,2-trifluorobutan-1-amine;hydroiodide is CCC(F)C(N)(F)F.I.
What is the InChIKey of 1,1,2-trifluorobutan-1-amine;hydroiodide?
The InChIKey is XSGKHZURXLJWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3N.HI/c1-2-3(5)4(6,7)8;/h3H,2,8H2,1H3;1H.
What are the key properties of 1,1,2-trifluorobutan-1-amine;hydroiodide?
1,1,2-trifluorobutan-1-amine;hydroiodide has a molecular weight of 255.02 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluorobutan-1-amine;hydroiodide is sourced from PubChem (CID 138607345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).