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

C5H11ClF3NO — CID 135355061

IUPAC1-(trifluoromethoxy)butan-2-amine;hydrochloride
SMILESCCC(N)COC(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-2-4(9)3-10-5(6,7)8;/h4H,2-3,9H2,1H3;1H
InChIKeyNLOODZLEUWPYDA-UHFFFAOYSA-N
MW193.60 g/mol
LogP1.68
Rot. Bonds3

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

1-(trifluoromethoxy)butan-2-amine;hydrochloride (PubChem CID 135355061) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is 1-(trifluoromethoxy)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethoxy)butan-2-amine;hydrochloride
PubChem CID135355061
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name1-(trifluoromethoxy)butan-2-amine;hydrochloride
SMILESCCC(N)COC(F)(F)F.Cl
InChIInChI=1S/C5H10F3NO.ClH/c1-2-4(9)3-10-5(6,7)8;/h4H,2-3,9H2,1H3;1H
InChIKeyNLOODZLEUWPYDA-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)butan-2-amine;hydrochloride?
The IUPAC name of 1-(trifluoromethoxy)butan-2-amine;hydrochloride (CID 135355061) is 1-(trifluoromethoxy)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(trifluoromethoxy)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(trifluoromethoxy)butan-2-amine;hydrochloride is CCC(N)COC(F)(F)F.Cl.
What is the InChIKey of 1-(trifluoromethoxy)butan-2-amine;hydrochloride?
The InChIKey is NLOODZLEUWPYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c1-2-4(9)3-10-5(6,7)8;/h4H,2-3,9H2,1H3;1H.
What are the key properties of 1-(trifluoromethoxy)butan-2-amine;hydrochloride?
1-(trifluoromethoxy)butan-2-amine;hydrochloride has a molecular weight of 193.60 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)butan-2-amine;hydrochloride is sourced from PubChem (CID 135355061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).