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

C8H14FNO2 — CID 130635392

IUPACN-(2-fluoroethyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NCCF)CCOC1
InChIInChI=1S/C8H14FNO2/c1-8(2-5-12-6-8)7(11)10-4-3-9/h2-6H2,1H3,(H,10,11)
InChIKeyULUCLMJNPREFGX-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.50
Rot. Bonds3

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

N-(2-fluoroethyl)-3-methyloxolane-3-carboxamide (PubChem CID 130635392) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3-methyloxolane-3-carboxamide
PubChem CID130635392
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC NameN-(2-fluoroethyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NCCF)CCOC1
InChIInChI=1S/C8H14FNO2/c1-8(2-5-12-6-8)7(11)10-4-3-9/h2-6H2,1H3,(H,10,11)
InChIKeyULUCLMJNPREFGX-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)-3-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-3-methyloxolane-3-carboxamide (CID 130635392) is N-(2-fluoroethyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-3-methyloxolane-3-carboxamide is CC1(C(=O)NCCF)CCOC1.
What is the InChIKey of N-(2-fluoroethyl)-3-methyloxolane-3-carboxamide?
The InChIKey is ULUCLMJNPREFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-8(2-5-12-6-8)7(11)10-4-3-9/h2-6H2,1H3,(H,10,11).
What are the key properties of N-(2-fluoroethyl)-3-methyloxolane-3-carboxamide?
N-(2-fluoroethyl)-3-methyloxolane-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)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 130635392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).