N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride

C7H9ClF3NO — CID 171487744

IUPACN-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride
SMILESCNC1=CCOC(C(F)(F)F)=C1.Cl
InChIInChI=1S/C7H8F3NO.ClH/c1-11-5-2-3-12-6(4-5)7(8,9)10;/h2,4,11H,3H2,1H3;1H
InChIKeyLSNFUMFHYRHQTH-UHFFFAOYSA-N
MW215.60 g/mol
LogP1.99
Rot. Bonds1

About N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride

N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride (PubChem CID 171487744) has the molecular formula C7H9ClF3NO and a molecular weight of 215.60 g/mol. Its IUPAC name is N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride
PubChem CID171487744
Molecular FormulaC7H9ClF3NO
Molecular Weight215.60 g/mol
Exact Mass215.03
IUPAC NameN-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride
SMILESCNC1=CCOC(C(F)(F)F)=C1.Cl
InChIInChI=1S/C7H8F3NO.ClH/c1-11-5-2-3-12-6(4-5)7(8,9)10;/h2,4,11H,3H2,1H3;1H
InChIKeyLSNFUMFHYRHQTH-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.60
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride?
The IUPAC name of N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride (CID 171487744) is N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride?
The canonical SMILES for N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride is CNC1=CCOC(C(F)(F)F)=C1.Cl.
What is the InChIKey of N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride?
The InChIKey is LSNFUMFHYRHQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO.ClH/c1-11-5-2-3-12-6(4-5)7(8,9)10;/h2,4,11H,3H2,1H3;1H.
What are the key properties of N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride?
N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride has a molecular weight of 215.60 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride is sourced from PubChem (CID 171487744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).