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

C9H16FNO2 — CID 126989197

IUPACN-(2-fluoroethyl)-2-methyloxane-3-carboxamide
SMILESCC1OCCCC1C(=O)NCCF
InChIInChI=1S/C9H16FNO2/c1-7-8(3-2-6-13-7)9(12)11-5-4-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyDBRNRZDCJLWYBA-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.89
Rot. Bonds3

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

N-(2-fluoroethyl)-2-methyloxane-3-carboxamide (PubChem CID 126989197) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-methyloxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-methyloxane-3-carboxamide
PubChem CID126989197
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC NameN-(2-fluoroethyl)-2-methyloxane-3-carboxamide
SMILESCC1OCCCC1C(=O)NCCF
InChIInChI=1S/C9H16FNO2/c1-7-8(3-2-6-13-7)9(12)11-5-4-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyDBRNRZDCJLWYBA-UHFFFAOYSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-methyloxane-3-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-2-methyloxane-3-carboxamide (CID 126989197) is N-(2-fluoroethyl)-2-methyloxane-3-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-methyloxane-3-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-2-methyloxane-3-carboxamide is CC1OCCCC1C(=O)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-methyloxane-3-carboxamide?
The InChIKey is DBRNRZDCJLWYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7-8(3-2-6-13-7)9(12)11-5-4-10/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of N-(2-fluoroethyl)-2-methyloxane-3-carboxamide?
N-(2-fluoroethyl)-2-methyloxane-3-carboxamide has a molecular weight of 189.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-methyloxane-3-carboxamide is sourced from PubChem (CID 126989197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).