3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide

C7H11F2NO2 — CID 131153682

IUPAC3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide
SMILESO=C(NCCF)C1(F)CCOC1
InChIInChI=1S/C7H11F2NO2/c8-2-3-10-6(11)7(9)1-4-12-5-7/h1-5H2,(H,10,11)
InChIKeyLEZLRGKJJULWTI-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.20
Rot. Bonds3

About 3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide

3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide (PubChem CID 131153682) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide
PubChem CID131153682
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide
SMILESO=C(NCCF)C1(F)CCOC1
InChIInChI=1S/C7H11F2NO2/c8-2-3-10-6(11)7(9)1-4-12-5-7/h1-5H2,(H,10,11)
InChIKeyLEZLRGKJJULWTI-UHFFFAOYSA-N
XLogP0.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluorooxolane-3-carboxamide
CID 131131789
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide
CID 115519322
3-amino-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892075
3-amino-N-(5-amino-5-oxopentyl)oxolane-3-carboxamide
CID 106235837
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 64891010
1-(4-fluorooxan-4-yl)ethanone
CID 58356077
N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen
CID 176683431
N-cyclopropyl-3-fluoro-N-methyloxolane-3-carboxamide
CID 131155439
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide (CID 131153682) is 3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide is O=C(NCCF)C1(F)CCOC1.
What is the InChIKey of 3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide?
The InChIKey is LEZLRGKJJULWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-2-3-10-6(11)7(9)1-4-12-5-7/h1-5H2,(H,10,11).
What are the key properties of 3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide?
3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide has a molecular weight of 179.17 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 131153682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).