3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine

C15H19F2NO — CID 71102781

IUPAC3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine
SMILESFc1ccc(C2CCN(C3CCOCC3)C2)c(F)c1
InChIInChI=1S/C15H19F2NO/c16-12-1-2-14(15(17)9-12)11-3-6-18(10-11)13-4-7-19-8-5-13/h1-2,9,11,13H,3-8,10H2
InChIKeyNGDZITNBKFDFGC-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.93
Rot. Bonds2

About 3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine

3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine (PubChem CID 71102781) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine
PubChem CID71102781
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine
SMILESFc1ccc(C2CCN(C3CCOCC3)C2)c(F)c1
InChIInChI=1S/C15H19F2NO/c16-12-1-2-14(15(17)9-12)11-3-6-18(10-11)13-4-7-19-8-5-13/h1-2,9,11,13H,3-8,10H2
InChIKeyNGDZITNBKFDFGC-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine?
The IUPAC name of 3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine (CID 71102781) is 3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine is Fc1ccc(C2CCN(C3CCOCC3)C2)c(F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine?
The InChIKey is NGDZITNBKFDFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-12-1-2-14(15(17)9-12)11-3-6-18(10-11)13-4-7-19-8-5-13/h1-2,9,11,13H,3-8,10H2.
What are the key properties of 3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine?
3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine has a molecular weight of 267.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine is sourced from PubChem (CID 71102781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).