5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid

C12H23F2NO3 — CID 106807136

IUPAC5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(CCCOCC(F)F)(NC(C)C)C(=O)O
InChIInChI=1S/C12H23F2NO3/c1-4-12(11(16)17,15-9(2)3)6-5-7-18-8-10(13)14/h9-10,15H,4-8H2,1-3H3,(H,16,17)
InChIKeySFVABNUWDCXAPP-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.28
Rot. Bonds10

About 5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid

5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 106807136) has the molecular formula C12H23F2NO3 and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID106807136
Molecular FormulaC12H23F2NO3
Molecular Weight267.32 g/mol
Exact Mass267.16
IUPAC Name5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(CCCOCC(F)F)(NC(C)C)C(=O)O
InChIInChI=1S/C12H23F2NO3/c1-4-12(11(16)17,15-9(2)3)6-5-7-18-8-10(13)14/h9-10,15H,4-8H2,1-3H3,(H,16,17)
InChIKeySFVABNUWDCXAPP-UHFFFAOYSA-N
XLogP2.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.28
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-(methylamino)pentanoic acid
CID 106807139
5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806827
2-ethyl-5-(3-methoxypropylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 106807566
6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid
CID 106714392
2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid
CID 106807068
5-tert-butylsulfanyl-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807286
2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid
CID 106806801
5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
CID 106806917
5-(azepan-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106805653
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806249
2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106806903
5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806317

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid (CID 106807136) is 5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid is CCC(CCCOCC(F)F)(NC(C)C)C(=O)O.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is SFVABNUWDCXAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO3/c1-4-12(11(16)17,15-9(2)3)6-5-7-18-8-10(13)14/h9-10,15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.28, 10 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-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 106807136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).