1-(trifluoromethoxy)propan-2-amine;hydrochloride

C4H9ClF3NO — CID 135354874

IUPAC1-(trifluoromethoxy)propan-2-amine;hydrochloride
SMILESCC(N)COC(F)(F)F.Cl
InChIInChI=1S/C4H8F3NO.ClH/c1-3(8)2-9-4(5,6)7;/h3H,2,8H2,1H3;1H
InChIKeyZJGKYDGXVATMFY-UHFFFAOYSA-N
MW179.57 g/mol
LogP1.29
Rot. Bonds2

About 1-(trifluoromethoxy)propan-2-amine;hydrochloride

1-(trifluoromethoxy)propan-2-amine;hydrochloride (PubChem CID 135354874) has the molecular formula C4H9ClF3NO and a molecular weight of 179.57 g/mol. Its IUPAC name is 1-(trifluoromethoxy)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethoxy)propan-2-amine;hydrochloride
PubChem CID135354874
Molecular FormulaC4H9ClF3NO
Molecular Weight179.57 g/mol
Exact Mass179.03
IUPAC Name1-(trifluoromethoxy)propan-2-amine;hydrochloride
SMILESCC(N)COC(F)(F)F.Cl
InChIInChI=1S/C4H8F3NO.ClH/c1-3(8)2-9-4(5,6)7;/h3H,2,8H2,1H3;1H
InChIKeyZJGKYDGXVATMFY-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)propan-2-amine;hydrochloride?
The IUPAC name of 1-(trifluoromethoxy)propan-2-amine;hydrochloride (CID 135354874) is 1-(trifluoromethoxy)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(trifluoromethoxy)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(trifluoromethoxy)propan-2-amine;hydrochloride is CC(N)COC(F)(F)F.Cl.
What is the InChIKey of 1-(trifluoromethoxy)propan-2-amine;hydrochloride?
The InChIKey is ZJGKYDGXVATMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO.ClH/c1-3(8)2-9-4(5,6)7;/h3H,2,8H2,1H3;1H.
What are the key properties of 1-(trifluoromethoxy)propan-2-amine;hydrochloride?
1-(trifluoromethoxy)propan-2-amine;hydrochloride has a molecular weight of 179.57 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)propan-2-amine;hydrochloride is sourced from PubChem (CID 135354874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).