5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid

C10H15F2NO5 — CID 103090704

IUPAC5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCOCC(F)F)O1
InChIInChI=1S/C10H15F2NO5/c11-8(12)5-17-4-3-13-9(14)6-1-2-7(18-6)10(15)16/h6-8H,1-5H2,(H,13,14)(H,15,16)
InChIKeyFXLNGPQEWHFKOD-UHFFFAOYSA-N
MW267.23 g/mol
LogP0.02
Rot. Bonds7

About 5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid

5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 103090704) has the molecular formula C10H15F2NO5 and a molecular weight of 267.23 g/mol. Its IUPAC name is 5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID103090704
Molecular FormulaC10H15F2NO5
Molecular Weight267.23 g/mol
Exact Mass267.09
IUPAC Name5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCOCC(F)F)O1
InChIInChI=1S/C10H15F2NO5/c11-8(12)5-17-4-3-13-9(14)6-1-2-7(18-6)10(15)16/h6-8H,1-5H2,(H,13,14)(H,15,16)
InChIKeyFXLNGPQEWHFKOD-UHFFFAOYSA-N
XLogP0.02
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 106234765
(2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945281
5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid
CID 102687639
5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688875
(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944290
(2R,5S)-5-(6-hydroxyhexylcarbamoyl)oxolane-2-carboxylic acid
CID 107846499
(2R,5S)-5-(but-3-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945299
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
5-[(4-methoxy-4-oxobutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688062
5-(2-methylsulfinylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688981
(3S,4S)-1-[2-(2,2-difluoroethoxy)ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114128611
(2R,5S)-5-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]oxolane-2-carboxylic acid
CID 106167993

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid (CID 103090704) is 5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)NCCOCC(F)F)O1.
What is the InChIKey of 5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is FXLNGPQEWHFKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO5/c11-8(12)5-17-4-3-13-9(14)6-1-2-7(18-6)10(15)16/h6-8H,1-5H2,(H,13,14)(H,15,16).
What are the key properties of 5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid?
5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 267.23 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103090704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).