5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid

C8H15F2NO2 — CID 162605388

IUPAC5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid
SMILESCNC(CC(C)(C)C(F)F)C(=O)O
InChIInChI=1S/C8H15F2NO2/c1-8(2,7(9)10)4-5(11-3)6(12)13/h5,7,11H,4H2,1-3H3,(H,12,13)
InChIKeyMDXKTZJRGRBWKJ-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.34
Rot. Bonds5

About 5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid

5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid (PubChem CID 162605388) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid
PubChem CID162605388
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid
SMILESCNC(CC(C)(C)C(F)F)C(=O)O
InChIInChI=1S/C8H15F2NO2/c1-8(2,7(9)10)4-5(11-3)6(12)13/h5,7,11H,4H2,1-3H3,(H,12,13)
InChIKeyMDXKTZJRGRBWKJ-UHFFFAOYSA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid?
The IUPAC name of 5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid (CID 162605388) is 5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid is CNC(CC(C)(C)C(F)F)C(=O)O.
What is the InChIKey of 5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid?
The InChIKey is MDXKTZJRGRBWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-8(2,7(9)10)4-5(11-3)6(12)13/h5,7,11H,4H2,1-3H3,(H,12,13).
What are the key properties of 5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid?
5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid has a molecular weight of 195.21 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-4,4-dimethyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 162605388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).