4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid

C9H17F2NO3 — CID 82007441

IUPAC4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)OCC(F)F)C(=O)O
InChIInChI=1S/C9H17F2NO3/c1-6(15-5-7(10)11)4-9(2,12-3)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyKJEJNLDYAWZQKP-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.11
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid

4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 82007441) has the molecular formula C9H17F2NO3 and a molecular weight of 225.23 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid
PubChem CID82007441
Molecular FormulaC9H17F2NO3
Molecular Weight225.23 g/mol
Exact Mass225.12
IUPAC Name4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)OCC(F)F)C(=O)O
InChIInChI=1S/C9H17F2NO3/c1-6(15-5-7(10)11)4-9(2,12-3)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyKJEJNLDYAWZQKP-UHFFFAOYSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 106204603
2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid
CID 64720044
2-methyl-2-(methylamino)-4-octoxypentanoic acid
CID 64709002
4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 82005976
methyl 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)pentanoate
CID 82005665
2-methyl-2-(methylamino)-4-(2-methylpentoxy)pentanamide
CID 103284859
4-(2-methoxyethoxy)-2-methyl-2-(methylamino)pentanamide
CID 64707377
ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate
CID 82006587
2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid
CID 64705959
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid
CID 64706223
2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 64711396

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid (CID 82007441) is 4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid is CNC(C)(CC(C)OCC(F)F)C(=O)O.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is KJEJNLDYAWZQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO3/c1-6(15-5-7(10)11)4-9(2,12-3)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid?
4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 225.23 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 82007441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).