2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate

C8H10F2N2O6 — CID 165344355

IUPAC2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate
SMILESO=C(NC(=O)C(=O)NC(=O)OCCF)OCCF
InChIInChI=1S/C8H10F2N2O6/c9-1-3-17-7(15)11-5(13)6(14)12-8(16)18-4-2-10/h1-4H2,(H,11,13,15)(H,12,14,16)
InChIKeyWMQFEICYRAACHH-UHFFFAOYSA-N
MW268.17 g/mol
LogP-0.57
Rot. Bonds4

About 2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate

2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate (PubChem CID 165344355) has the molecular formula C8H10F2N2O6 and a molecular weight of 268.17 g/mol. Its IUPAC name is 2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate
PubChem CID165344355
Molecular FormulaC8H10F2N2O6
Molecular Weight268.17 g/mol
Exact Mass268.05
IUPAC Name2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate
SMILESO=C(NC(=O)C(=O)NC(=O)OCCF)OCCF
InChIInChI=1S/C8H10F2N2O6/c9-1-3-17-7(15)11-5(13)6(14)12-8(16)18-4-2-10/h1-4H2,(H,11,13,15)(H,12,14,16)
InChIKeyWMQFEICYRAACHH-UHFFFAOYSA-N
XLogP-0.57
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
CID 121003503
2-fluoroethyl carbonochloridate
CID 10017
2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate
CID 101055685
2-fluoroethyl N-hexylcarbamate
CID 87287131
fluoro 2-fluoroethyl carbonate
CID 175101723
2-fluoroethyl N-(2-methylphenyl)carbamate
CID 86208928
2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate
CID 13298348
2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
CID 58895238
2-fluoroethyl 6-bromohexanoate
CID 9846
(Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid
CID 87627186
2-fluoroethyl 2-sulfanylpropanoate
CID 154185031
2-fluoroethyl cyclopropanecarboxylate
CID 130693210

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate?
The IUPAC name of 2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate (CID 165344355) is 2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate is O=C(NC(=O)C(=O)NC(=O)OCCF)OCCF.
What is the InChIKey of 2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate?
The InChIKey is WMQFEICYRAACHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O6/c9-1-3-17-7(15)11-5(13)6(14)12-8(16)18-4-2-10/h1-4H2,(H,11,13,15)(H,12,14,16).
What are the key properties of 2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate?
2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate has a molecular weight of 268.17 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate is sourced from PubChem (CID 165344355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).