5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one

C14H23F2NO2 — CID 106492429

IUPAC5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one
SMILESCCC1CCC(CNCC2CC(F)(F)C(=O)O2)CC1
InChIInChI=1S/C14H23F2NO2/c1-2-10-3-5-11(6-4-10)8-17-9-12-7-14(15,16)13(18)19-12/h10-12,17H,2-9H2,1H3
InChIKeyORXFNNWIONBKOF-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.74
Rot. Bonds5

About 5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one

5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492429) has the molecular formula C14H23F2NO2 and a molecular weight of 275.34 g/mol. Its IUPAC name is 5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one
PubChem CID106492429
Molecular FormulaC14H23F2NO2
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one
SMILESCCC1CCC(CNCC2CC(F)(F)C(=O)O2)CC1
InChIInChI=1S/C14H23F2NO2/c1-2-10-3-5-11(6-4-10)8-17-9-12-7-14(15,16)13(18)19-12/h10-12,17H,2-9H2,1H3
InChIKeyORXFNNWIONBKOF-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one (CID 106492429) is 5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one is CCC1CCC(CNCC2CC(F)(F)C(=O)O2)CC1.
What is the InChIKey of 5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one?
The InChIKey is ORXFNNWIONBKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2/c1-2-10-3-5-11(6-4-10)8-17-9-12-7-14(15,16)13(18)19-12/h10-12,17H,2-9H2,1H3.
What are the key properties of 5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one?
5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one has a molecular weight of 275.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).