3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine

C9H17F2NO — CID 58140093

IUPAC3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCCN1CCC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-8(2)13-6-5-12-4-3-9(10,11)7-12/h8H,3-7H2,1-2H3
InChIKeyFXCZLVZSIQZFFM-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds4

About 3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine

3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine (PubChem CID 58140093) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
PubChem CID58140093
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCCN1CCC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-8(2)13-6-5-12-4-3-9(10,11)7-12/h8H,3-7H2,1-2H3
InChIKeyFXCZLVZSIQZFFM-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine (CID 58140093) is 3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine is CC(C)OCCN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine?
The InChIKey is FXCZLVZSIQZFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(2)13-6-5-12-4-3-9(10,11)7-12/h8H,3-7H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine?
3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine is sourced from PubChem (CID 58140093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).