2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride

C6H11ClF3NO — CID 71743331

IUPAC2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride
SMILESCl.NC(C1CCOC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(10)4-1-2-11-3-4;/h4-5H,1-3,10H2;1H
InChIKeyVZCHZZZBPYVHBC-UHFFFAOYSA-N
MW205.61 g/mol
LogP1.33
Rot. Bonds1

About 2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride

2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride (PubChem CID 71743331) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride
PubChem CID71743331
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride
SMILESCl.NC(C1CCOC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(10)4-1-2-11-3-4;/h4-5H,1-3,10H2;1H
InChIKeyVZCHZZZBPYVHBC-UHFFFAOYSA-N
XLogP1.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride (CID 71743331) is 2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride is Cl.NC(C1CCOC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride?
The InChIKey is VZCHZZZBPYVHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(10)4-1-2-11-3-4;/h4-5H,1-3,10H2;1H.
What are the key properties of 2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride?
2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride has a molecular weight of 205.61 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71743331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).