2-(difluoromethoxy)-1-ethylpyrrolidine

C7H13F2NO — CID 142532200

IUPAC2-(difluoromethoxy)-1-ethylpyrrolidine
SMILESCCN1CCCC1OC(F)F
InChIInChI=1S/C7H13F2NO/c1-2-10-5-3-4-6(10)11-7(8)9/h6-7H,2-5H2,1H3
InChIKeySCZCTDLDAVMTJZ-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.67
Rot. Bonds3

About 2-(difluoromethoxy)-1-ethylpyrrolidine

2-(difluoromethoxy)-1-ethylpyrrolidine (PubChem CID 142532200) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1-ethylpyrrolidine.

Molecular Properties

Compound Name2-(difluoromethoxy)-1-ethylpyrrolidine
PubChem CID142532200
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2-(difluoromethoxy)-1-ethylpyrrolidine
SMILESCCN1CCCC1OC(F)F
InChIInChI=1S/C7H13F2NO/c1-2-10-5-3-4-6(10)11-7(8)9/h6-7H,2-5H2,1H3
InChIKeySCZCTDLDAVMTJZ-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1-ethylpyrrolidine?
The IUPAC name of 2-(difluoromethoxy)-1-ethylpyrrolidine (CID 142532200) is 2-(difluoromethoxy)-1-ethylpyrrolidine.
What is the SMILES notation for 2-(difluoromethoxy)-1-ethylpyrrolidine?
The canonical SMILES for 2-(difluoromethoxy)-1-ethylpyrrolidine is CCN1CCCC1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-1-ethylpyrrolidine?
The InChIKey is SCZCTDLDAVMTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-2-10-5-3-4-6(10)11-7(8)9/h6-7H,2-5H2,1H3.
What are the key properties of 2-(difluoromethoxy)-1-ethylpyrrolidine?
2-(difluoromethoxy)-1-ethylpyrrolidine has a molecular weight of 165.18 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1-ethylpyrrolidine is sourced from PubChem (CID 142532200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).