[4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride

C8H8ClF3IN — CID 127262587

IUPAC[4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C8H7F3IN.ClH/c9-8(10,11)7-3-6(12)2-1-5(7)4-13;/h1-3H,4,13H2;1H
InChIKeyUBVRMJYCRCJKSE-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.19
Rot. Bonds1

About [4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride

[4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 127262587) has the molecular formula C8H8ClF3IN and a molecular weight of 337.51 g/mol. Its IUPAC name is [4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID127262587
Molecular FormulaC8H8ClF3IN
Molecular Weight337.51 g/mol
Exact Mass336.93
IUPAC Name[4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C8H7F3IN.ClH/c9-8(10,11)7-3-6(12)2-1-5(7)4-13;/h1-3H,4,13H2;1H
InChIKeyUBVRMJYCRCJKSE-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 127262587) is [4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.NCc1ccc(I)cc1C(F)(F)F.
What is the InChIKey of [4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is UBVRMJYCRCJKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3IN.ClH/c9-8(10,11)7-3-6(12)2-1-5(7)4-13;/h1-3H,4,13H2;1H.
What are the key properties of [4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
[4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 337.51 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 127262587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).