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

C6H10F3NO2 — CID 2769949

IUPAC4-(aminomethyl)-5,5,5-trifluoropentanoic acid
SMILESNCC(CCC(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)4(3-10)1-2-5(11)12/h4H,1-3,10H2,(H,11,12)
InChIKeyAERPGFVGUBZEGI-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.99
Rot. Bonds4

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

4-(aminomethyl)-5,5,5-trifluoropentanoic acid (PubChem CID 2769949) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 4-(aminomethyl)-5,5,5-trifluoropentanoic acid.

Molecular Properties

Compound Name4-(aminomethyl)-5,5,5-trifluoropentanoic acid
PubChem CID2769949
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name4-(aminomethyl)-5,5,5-trifluoropentanoic acid
SMILESNCC(CCC(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)4(3-10)1-2-5(11)12/h4H,1-3,10H2,(H,11,12)
InChIKeyAERPGFVGUBZEGI-UHFFFAOYSA-N
XLogP0.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Eflornithine
CID 3009
Ornithine, 2-(difluoromethyl)-, hydrochloride, hydrate (1:1:1)
CID 441361
Eflornithine hydrochloride anhydrous
CID 57004
L-Eflornithine
CID 6992039
(-)-2-Difluoromethylornithine
CID 6603806
L-Eflornithine (monohydrochloride)
CID 16048568
(2S)-2,5-diamino-2-(trifluoromethyl)pentanoic acid
CID 15817297
5-Amino-2-methylpentanoic acid hydrochloride
CID 71757391
5-Amino-4-methylpentanoic acid hydrochloride
CID 71757461
3-(Aminomethyl)cyclobutane-1-carboxylic acid hydrochloride
CID 73425046
Methyl 5-amino-4-(trifluoromethyl)pentanoate hydrochloride
CID 87219513
5-Amino-4-(trifluoromethyl)pentanoic acid hydrochloride
CID 2769948

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5,5,5-trifluoropentanoic acid?
The IUPAC name of 4-(aminomethyl)-5,5,5-trifluoropentanoic acid (CID 2769949) is 4-(aminomethyl)-5,5,5-trifluoropentanoic acid.
What is the SMILES notation for 4-(aminomethyl)-5,5,5-trifluoropentanoic acid?
The canonical SMILES for 4-(aminomethyl)-5,5,5-trifluoropentanoic acid is NCC(CCC(=O)O)C(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-5,5,5-trifluoropentanoic acid?
The InChIKey is AERPGFVGUBZEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c7-6(8,9)4(3-10)1-2-5(11)12/h4H,1-3,10H2,(H,11,12).
What are the key properties of 4-(aminomethyl)-5,5,5-trifluoropentanoic acid?
4-(aminomethyl)-5,5,5-trifluoropentanoic acid has a molecular weight of 185.14 g/mol, XLogP of 0.99, 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 is sourced from PubChem (CID 2769949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).