3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine

C13H13F6N — CID 134499213

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine
SMILESFC(F)(F)C(C(F)(F)F)C1(c2ccccc2)CCNC1
InChIInChI=1S/C13H13F6N/c14-12(15,16)10(13(17,18)19)11(6-7-20-8-11)9-4-2-1-3-5-9/h1-5,10,20H,6-8H2
InChIKeyHGEYZDJPZAMNDT-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.66
Rot. Bonds2

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine

3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine (PubChem CID 134499213) has the molecular formula C13H13F6N and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine
PubChem CID134499213
Molecular FormulaC13H13F6N
Molecular Weight297.24 g/mol
Exact Mass297.10
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine
SMILESFC(F)(F)C(C(F)(F)F)C1(c2ccccc2)CCNC1
InChIInChI=1S/C13H13F6N/c14-12(15,16)10(13(17,18)19)11(6-7-20-8-11)9-4-2-1-3-5-9/h1-5,10,20H,6-8H2
InChIKeyHGEYZDJPZAMNDT-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine (CID 134499213) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine is FC(F)(F)C(C(F)(F)F)C1(c2ccccc2)CCNC1.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine?
The InChIKey is HGEYZDJPZAMNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6N/c14-12(15,16)10(13(17,18)19)11(6-7-20-8-11)9-4-2-1-3-5-9/h1-5,10,20H,6-8H2.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine?
3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine has a molecular weight of 297.24 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpyrrolidine is sourced from PubChem (CID 134499213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).