N-ethyl-3-fluorooxolane-3-carboxamide

C7H12FNO2 — CID 130709196

IUPACN-ethyl-3-fluorooxolane-3-carboxamide
SMILESCCNC(=O)C1(F)CCOC1
InChIInChI=1S/C7H12FNO2/c1-2-9-6(10)7(8)3-4-11-5-7/h2-5H2,1H3,(H,9,10)
InChIKeyBXHKETBGKORCCO-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.25
Rot. Bonds2

About N-ethyl-3-fluorooxolane-3-carboxamide

N-ethyl-3-fluorooxolane-3-carboxamide (PubChem CID 130709196) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is N-ethyl-3-fluorooxolane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-fluorooxolane-3-carboxamide
PubChem CID130709196
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC NameN-ethyl-3-fluorooxolane-3-carboxamide
SMILESCCNC(=O)C1(F)CCOC1
InChIInChI=1S/C7H12FNO2/c1-2-9-6(10)7(8)3-4-11-5-7/h2-5H2,1H3,(H,9,10)
InChIKeyBXHKETBGKORCCO-UHFFFAOYSA-N
XLogP0.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluorooxolane-3-carboxamide?
The IUPAC name of N-ethyl-3-fluorooxolane-3-carboxamide (CID 130709196) is N-ethyl-3-fluorooxolane-3-carboxamide.
What is the SMILES notation for N-ethyl-3-fluorooxolane-3-carboxamide?
The canonical SMILES for N-ethyl-3-fluorooxolane-3-carboxamide is CCNC(=O)C1(F)CCOC1.
What is the InChIKey of N-ethyl-3-fluorooxolane-3-carboxamide?
The InChIKey is BXHKETBGKORCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-2-9-6(10)7(8)3-4-11-5-7/h2-5H2,1H3,(H,9,10).
What are the key properties of N-ethyl-3-fluorooxolane-3-carboxamide?
N-ethyl-3-fluorooxolane-3-carboxamide has a molecular weight of 161.18 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluorooxolane-3-carboxamide is sourced from PubChem (CID 130709196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).