1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride

C5H11ClF3NO — CID 47002333

IUPAC1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride
SMILESCC(N)COCC(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-4(9)2-10-3-5(6,7)8;/h4H,2-3,9H2,1H3;1H
InChIKeyILVPCBLAUAEINX-UHFFFAOYSA-N
MW193.60 g/mol
LogP1.33
Rot. Bonds3

About 1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride

1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride (PubChem CID 47002333) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride
PubChem CID47002333
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride
SMILESCC(N)COCC(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-4(9)2-10-3-5(6,7)8;/h4H,2-3,9H2,1H3;1H
InChIKeyILVPCBLAUAEINX-UHFFFAOYSA-N
XLogP1.33
TPSA35.25 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride (CID 47002333) is 1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride is CC(N)COCC(F)(F)F.Cl.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride?
The InChIKey is ILVPCBLAUAEINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c1-4(9)2-10-3-5(6,7)8;/h4H,2-3,9H2,1H3;1H.
What are the key properties of 1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride?
1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride has a molecular weight of 193.60 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)propan-2-amine;hydrochloride is sourced from PubChem (CID 47002333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).