3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride

C4H9ClF3NO — CID 54593160

IUPAC3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride
SMILESCOC(CN)C(F)(F)F.Cl
InChIInChI=1S/C4H8F3NO.ClH/c1-9-3(2-8)4(5,6)7;/h3H,2,8H2,1H3;1H
InChIKeyXFBPDPPOCQUMGL-UHFFFAOYSA-N
MW179.57 g/mol
LogP0.94
Rot. Bonds2

About 3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride

3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride (PubChem CID 54593160) has the molecular formula C4H9ClF3NO and a molecular weight of 179.57 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride
PubChem CID54593160
Molecular FormulaC4H9ClF3NO
Molecular Weight179.57 g/mol
Exact Mass179.03
IUPAC Name3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride
SMILESCOC(CN)C(F)(F)F.Cl
InChIInChI=1S/C4H8F3NO.ClH/c1-9-3(2-8)4(5,6)7;/h3H,2,8H2,1H3;1H
InChIKeyXFBPDPPOCQUMGL-UHFFFAOYSA-N
XLogP0.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.57
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride?
The IUPAC name of 3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride (CID 54593160) is 3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride.
What is the SMILES notation for 3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride?
The canonical SMILES for 3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride is COC(CN)C(F)(F)F.Cl.
What is the InChIKey of 3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride?
The InChIKey is XFBPDPPOCQUMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO.ClH/c1-9-3(2-8)4(5,6)7;/h3H,2,8H2,1H3;1H.
What are the key properties of 3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride?
3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride has a molecular weight of 179.57 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 54593160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).