3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid

C8H14F3NO2 — CID 82534440

IUPAC3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid
SMILESCN(C)CC(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-12(2)5-6(3-7(13)14)4-8(9,10)11/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyFBHSMEDMASIVOU-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.59
Rot. Bonds5

About 3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid

3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid (PubChem CID 82534440) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid
PubChem CID82534440
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid
SMILESCN(C)CC(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-12(2)5-6(3-7(13)14)4-8(9,10)11/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyFBHSMEDMASIVOU-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid?
The IUPAC name of 3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid (CID 82534440) is 3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid.
What is the SMILES notation for 3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid?
The canonical SMILES for 3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid is CN(C)CC(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid?
The InChIKey is FBHSMEDMASIVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-12(2)5-6(3-7(13)14)4-8(9,10)11/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid?
3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid has a molecular weight of 213.20 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-5,5,5-trifluoropentanoic acid is sourced from PubChem (CID 82534440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).