5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid

C10H19F2NO3 — CID 106807139

IUPAC5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
SMILESCCC(CCCOCC(F)F)(NC)C(=O)O
InChIInChI=1S/C10H19F2NO3/c1-3-10(13-2,9(14)15)5-4-6-16-7-8(11)12/h8,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyRKEKSQOVQZKXBN-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.50
Rot. Bonds9

About 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid

5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid (PubChem CID 106807139) has the molecular formula C10H19F2NO3 and a molecular weight of 239.26 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
PubChem CID106807139
Molecular FormulaC10H19F2NO3
Molecular Weight239.26 g/mol
Exact Mass239.13
IUPAC Name5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
SMILESCCC(CCCOCC(F)F)(NC)C(=O)O
InChIInChI=1S/C10H19F2NO3/c1-3-10(13-2,9(14)15)5-4-6-16-7-8(11)12/h8,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyRKEKSQOVQZKXBN-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807136
5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
CID 106806917
2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid
CID 106806801
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid
CID 106807199
2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 106807155
6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid
CID 106714392
4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 82005976
5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806827
2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid
CID 106806865
2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid
CID 106806746
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804900
2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106806903

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid?
The IUPAC name of 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid (CID 106807139) is 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid is CCC(CCCOCC(F)F)(NC)C(=O)O.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid?
The InChIKey is RKEKSQOVQZKXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO3/c1-3-10(13-2,9(14)15)5-4-6-16-7-8(11)12/h8,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid?
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid has a molecular weight of 239.26 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 106807139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).