N-(2-fluoroethyl)oxane-3-carboxamide

C8H14FNO2 — CID 126989096

IUPACN-(2-fluoroethyl)oxane-3-carboxamide
SMILESO=C(NCCF)C1CCCOC1
InChIInChI=1S/C8H14FNO2/c9-3-4-10-8(11)7-2-1-5-12-6-7/h7H,1-6H2,(H,10,11)
InChIKeyUUWJOOYUCPIYPI-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.50
Rot. Bonds3

About N-(2-fluoroethyl)oxane-3-carboxamide

N-(2-fluoroethyl)oxane-3-carboxamide (PubChem CID 126989096) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is N-(2-fluoroethyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)oxane-3-carboxamide
PubChem CID126989096
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC NameN-(2-fluoroethyl)oxane-3-carboxamide
SMILESO=C(NCCF)C1CCCOC1
InChIInChI=1S/C8H14FNO2/c9-3-4-10-8(11)7-2-1-5-12-6-7/h7H,1-6H2,(H,10,11)
InChIKeyUUWJOOYUCPIYPI-UHFFFAOYSA-N
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)oxane-3-carboxamide?
The IUPAC name of N-(2-fluoroethyl)oxane-3-carboxamide (CID 126989096) is N-(2-fluoroethyl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)oxane-3-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)oxane-3-carboxamide is O=C(NCCF)C1CCCOC1.
What is the InChIKey of N-(2-fluoroethyl)oxane-3-carboxamide?
The InChIKey is UUWJOOYUCPIYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c9-3-4-10-8(11)7-2-1-5-12-6-7/h7H,1-6H2,(H,10,11).
What are the key properties of N-(2-fluoroethyl)oxane-3-carboxamide?
N-(2-fluoroethyl)oxane-3-carboxamide has a molecular weight of 175.20 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)oxane-3-carboxamide is sourced from PubChem (CID 126989096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).