4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride

C6H11ClF3NO2 — CID 2769948

IUPAC4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride
SMILESCl.NCC(CCC(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2.ClH/c7-6(8,9)4(3-10)1-2-5(11)12;/h4H,1-3,10H2,(H,11,12);1H
InChIKeyIUYUKQUTNGOQHL-UHFFFAOYSA-N
MW221.61 g/mol
LogP1.41
Rot. Bonds4

About 4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride

4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride (PubChem CID 2769948) has the molecular formula C6H11ClF3NO2 and a molecular weight of 221.61 g/mol. Its IUPAC name is 4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride
PubChem CID2769948
Molecular FormulaC6H11ClF3NO2
Molecular Weight221.61 g/mol
Exact Mass221.04
IUPAC Name4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride
SMILESCl.NCC(CCC(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2.ClH/c7-6(8,9)4(3-10)1-2-5(11)12;/h4H,1-3,10H2,(H,11,12);1H
InChIKeyIUYUKQUTNGOQHL-UHFFFAOYSA-N
XLogP1.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.61
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride?
The IUPAC name of 4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride (CID 2769948) is 4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride is Cl.NCC(CCC(=O)O)C(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride?
The InChIKey is IUYUKQUTNGOQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2.ClH/c7-6(8,9)4(3-10)1-2-5(11)12;/h4H,1-3,10H2,(H,11,12);1H.
What are the key properties of 4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride?
4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride has a molecular weight of 221.61 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride is sourced from PubChem (CID 2769948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).