3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine

C15H27F2NO — CID 170414141

IUPAC3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine
SMILESCC(CCC(C)C1CNCC1(F)F)C1CCCOC1
InChIInChI=1S/C15H27F2NO/c1-11(13-4-3-7-19-9-13)5-6-12(2)14-8-18-10-15(14,16)17/h11-14,18H,3-10H2,1-2H3
InChIKeyDWVYLEOSHQGUOA-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.32
Rot. Bonds5

About 3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine

3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine (PubChem CID 170414141) has the molecular formula C15H27F2NO and a molecular weight of 275.38 g/mol. Its IUPAC name is 3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine
PubChem CID170414141
Molecular FormulaC15H27F2NO
Molecular Weight275.38 g/mol
Exact Mass275.21
IUPAC Name3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine
SMILESCC(CCC(C)C1CNCC1(F)F)C1CCCOC1
InChIInChI=1S/C15H27F2NO/c1-11(13-4-3-7-19-9-13)5-6-12(2)14-8-18-10-15(14,16)17/h11-14,18H,3-10H2,1-2H3
InChIKeyDWVYLEOSHQGUOA-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.32
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-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine?
The IUPAC name of 3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine (CID 170414141) is 3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine.
What is the SMILES notation for 3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine?
The canonical SMILES for 3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine is CC(CCC(C)C1CNCC1(F)F)C1CCCOC1.
What is the InChIKey of 3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine?
The InChIKey is DWVYLEOSHQGUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO/c1-11(13-4-3-7-19-9-13)5-6-12(2)14-8-18-10-15(14,16)17/h11-14,18H,3-10H2,1-2H3.
What are the key properties of 3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine?
3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine has a molecular weight of 275.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-[5-(oxan-3-yl)hexan-2-yl]pyrrolidine is sourced from PubChem (CID 170414141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).