3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine

C17H35F4NO — CID 177038869

IUPAC3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine
SMILESCC.CC.CCC1CNCC1(F)F.CCCC1COCC1(F)F
InChIInChI=1S/C7H12F2O.C6H11F2N.2C2H6/c1-2-3-6-4-10-5-7(6,8)9;1-2-5-3-9-4-6(5,7)8;2*1-2/h6H,2-5H2,1H3;5,9H,2-4H2,1H3;2*1-2H3
InChIKeyKOEGCMFFLQJFMB-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.37
Rot. Bonds3

About 3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine

3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine (PubChem CID 177038869) has the molecular formula C17H35F4NO and a molecular weight of 345.47 g/mol. Its IUPAC name is 3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine
PubChem CID177038869
Molecular FormulaC17H35F4NO
Molecular Weight345.47 g/mol
Exact Mass345.27
IUPAC Name3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine
SMILESCC.CC.CCC1CNCC1(F)F.CCCC1COCC1(F)F
InChIInChI=1S/C7H12F2O.C6H11F2N.2C2H6/c1-2-3-6-4-10-5-7(6,8)9;1-2-5-3-9-4-6(5,7)8;2*1-2/h6H,2-5H2,1H3;5,9H,2-4H2,1H3;2*1-2H3
InChIKeyKOEGCMFFLQJFMB-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine?
The IUPAC name of 3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine (CID 177038869) is 3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine.
What is the SMILES notation for 3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine?
The canonical SMILES for 3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine is CC.CC.CCC1CNCC1(F)F.CCCC1COCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine?
The InChIKey is KOEGCMFFLQJFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O.C6H11F2N.2C2H6/c1-2-3-6-4-10-5-7(6,8)9;1-2-5-3-9-4-6(5,7)8;2*1-2/h6H,2-5H2,1H3;5,9H,2-4H2,1H3;2*1-2H3.
What are the key properties of 3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine?
3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine has a molecular weight of 345.47 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-propyloxolane;ethane;4-ethyl-3,3-difluoropyrrolidine is sourced from PubChem (CID 177038869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).