2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride

C16H16ClF4N — CID 90675033

IUPAC2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccccc1C(F)(F)C(F)(F)c1ccccc1
InChIInChI=1S/C16H15F4N.ClH/c17-15(18,13-7-2-1-3-8-13)16(19,20)14-9-5-4-6-12(14)10-11-21;/h1-9H,10-11,21H2;1H
InChIKeyAUYUVWYFCYYEAP-UHFFFAOYSA-N
MW333.76 g/mol
LogP4.49
Rot. Bonds5

About 2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride

2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride (PubChem CID 90675033) has the molecular formula C16H16ClF4N and a molecular weight of 333.76 g/mol. Its IUPAC name is 2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride
PubChem CID90675033
Molecular FormulaC16H16ClF4N
Molecular Weight333.76 g/mol
Exact Mass333.09
IUPAC Name2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccccc1C(F)(F)C(F)(F)c1ccccc1
InChIInChI=1S/C16H15F4N.ClH/c17-15(18,13-7-2-1-3-8-13)16(19,20)14-9-5-4-6-12(14)10-11-21;/h1-9H,10-11,21H2;1H
InChIKeyAUYUVWYFCYYEAP-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.76
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride (CID 90675033) is 2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride is Cl.NCCc1ccccc1C(F)(F)C(F)(F)c1ccccc1.
What is the InChIKey of 2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride?
The InChIKey is AUYUVWYFCYYEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N.ClH/c17-15(18,13-7-2-1-3-8-13)16(19,20)14-9-5-4-6-12(14)10-11-21;/h1-9H,10-11,21H2;1H.
What are the key properties of 2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride?
2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride has a molecular weight of 333.76 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 90675033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).