3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine

C8H15F2NO — CID 82004232

IUPAC3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(OCC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-11-6-2-3-7(4-6)12-5-8(9)10/h6-8,11H,2-5H2,1H3
InChIKeyNEXSQENWPFOWSE-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds4

About 3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine

3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine (PubChem CID 82004232) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine
PubChem CID82004232
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(OCC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-11-6-2-3-7(4-6)12-5-8(9)10/h6-8,11H,2-5H2,1H3
InChIKeyNEXSQENWPFOWSE-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine (CID 82004232) is 3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine is CNC1CCC(OCC(F)F)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine?
The InChIKey is NEXSQENWPFOWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-6-2-3-7(4-6)12-5-8(9)10/h6-8,11H,2-5H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine?
3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 82004232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).