N-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide

C9H16FNO2 — CID 131153886

IUPACN-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide
SMILESCC1CC(C)C(C(=O)NCCF)O1
InChIInChI=1S/C9H16FNO2/c1-6-5-7(2)13-8(6)9(12)11-4-3-10/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyYBOYUSMOONMVIN-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.89
Rot. Bonds3

About N-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide

N-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide (PubChem CID 131153886) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide
PubChem CID131153886
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC NameN-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide
SMILESCC1CC(C)C(C(=O)NCCF)O1
InChIInChI=1S/C9H16FNO2/c1-6-5-7(2)13-8(6)9(12)11-4-3-10/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyYBOYUSMOONMVIN-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

Analyze N-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide (CID 131153886) is N-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide is CC1CC(C)C(C(=O)NCCF)O1.
What is the InChIKey of N-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide?
The InChIKey is YBOYUSMOONMVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-6-5-7(2)13-8(6)9(12)11-4-3-10/h6-8H,3-5H2,1-2H3,(H,11,12).
What are the key properties of N-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide?
N-(2-fluoroethyl)-3,5-dimethyloxolane-2-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)-3,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 131153886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).