1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride

C5H11ClF3NO — CID 75480536

IUPAC1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride
SMILESCNC(COC)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-9-4(3-10-2)5(6,7)8;/h4,9H,3H2,1-2H3;1H
InChIKeyRNTTWWDKQRPJTE-UHFFFAOYSA-N
MW193.60 g/mol
LogP1.20
Rot. Bonds3

About 1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride

1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride (PubChem CID 75480536) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride
PubChem CID75480536
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride
SMILESCNC(COC)C(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-9-4(3-10-2)5(6,7)8;/h4,9H,3H2,1-2H3;1H
InChIKeyRNTTWWDKQRPJTE-UHFFFAOYSA-N
XLogP1.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.60
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride (CID 75480536) is 1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride is CNC(COC)C(F)(F)F.Cl.
What is the InChIKey of 1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride?
The InChIKey is RNTTWWDKQRPJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c1-9-4(3-10-2)5(6,7)8;/h4,9H,3H2,1-2H3;1H.
What are the key properties of 1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride?
1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride has a molecular weight of 193.60 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methoxy-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 75480536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).