2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole

C10H13F4N3O — CID 126623917

IUPAC2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole
SMILESF[C@H]1CN[C@H](c2nnc(CCCC(F)(F)F)o2)C1
InChIInChI=1S/C10H13F4N3O/c11-6-4-7(15-5-6)9-17-16-8(18-9)2-1-3-10(12,13)14/h6-7,15H,1-5H2/t6-,7+/m1/s1
InChIKeyRIIBAOSVWPAMLF-RQJHMYQMSA-N
MW267.23 g/mol
LogP2.33
Rot. Bonds4

About 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole

2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole (PubChem CID 126623917) has the molecular formula C10H13F4N3O and a molecular weight of 267.23 g/mol. Its IUPAC name is 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole
PubChem CID126623917
Molecular FormulaC10H13F4N3O
Molecular Weight267.23 g/mol
Exact Mass267.10
IUPAC Name2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole
SMILESF[C@H]1CN[C@H](c2nnc(CCCC(F)(F)F)o2)C1
InChIInChI=1S/C10H13F4N3O/c11-6-4-7(15-5-6)9-17-16-8(18-9)2-1-3-10(12,13)14/h6-7,15H,1-5H2/t6-,7+/m1/s1
InChIKeyRIIBAOSVWPAMLF-RQJHMYQMSA-N
XLogP2.33
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole (CID 126623917) is 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole is F[C@H]1CN[C@H](c2nnc(CCCC(F)(F)F)o2)C1.
What is the InChIKey of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole?
The InChIKey is RIIBAOSVWPAMLF-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H13F4N3O/c11-6-4-7(15-5-6)9-17-16-8(18-9)2-1-3-10(12,13)14/h6-7,15H,1-5H2/t6-,7+/m1/s1.
What are the key properties of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole?
2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole has a molecular weight of 267.23 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole is sourced from PubChem (CID 126623917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).