2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride

C4H10ClF2N — CID 18002375

IUPAC2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride
SMILESCN(CF)CCF.Cl
InChIInChI=1S/C4H9F2N.ClH/c1-7(4-6)3-2-5;/h2-4H2,1H3;1H
InChIKeyWSWXMGOFVKBLIH-UHFFFAOYSA-N
MW145.58 g/mol
LogP1.24
Rot. Bonds3

About 2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride

2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride (PubChem CID 18002375) has the molecular formula C4H10ClF2N and a molecular weight of 145.58 g/mol. Its IUPAC name is 2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride
PubChem CID18002375
Molecular FormulaC4H10ClF2N
Molecular Weight145.58 g/mol
Exact Mass145.05
IUPAC Name2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride
SMILESCN(CF)CCF.Cl
InChIInChI=1S/C4H9F2N.ClH/c1-7(4-6)3-2-5;/h2-4H2,1H3;1H
InChIKeyWSWXMGOFVKBLIH-UHFFFAOYSA-N
XLogP1.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.58
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride (CID 18002375) is 2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride is CN(CF)CCF.Cl.
What is the InChIKey of 2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride?
The InChIKey is WSWXMGOFVKBLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N.ClH/c1-7(4-6)3-2-5;/h2-4H2,1H3;1H.
What are the key properties of 2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride?
2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride has a molecular weight of 145.58 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(fluoromethyl)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 18002375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).