(2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine

C10H17F2N — CID 177213219

IUPAC(2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine
SMILESCC[C@H]1CC[C@@](C=C(F)F)(CC)N1
InChIInChI=1S/C10H17F2N/c1-3-8-5-6-10(4-2,13-8)7-9(11)12/h7-8,13H,3-6H2,1-2H3/t8-,10+/m0/s1
InChIKeyHNPOMOCYLXWOST-WCBMZHEXSA-N
MW189.25 g/mol
LogP3.08
Rot. Bonds3

About (2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine

(2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine (PubChem CID 177213219) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is (2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine.

Molecular Properties

Compound Name(2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine
PubChem CID177213219
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name(2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine
SMILESCC[C@H]1CC[C@@](C=C(F)F)(CC)N1
InChIInChI=1S/C10H17F2N/c1-3-8-5-6-10(4-2,13-8)7-9(11)12/h7-8,13H,3-6H2,1-2H3/t8-,10+/m0/s1
InChIKeyHNPOMOCYLXWOST-WCBMZHEXSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine?
The IUPAC name of (2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine (CID 177213219) is (2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine.
What is the SMILES notation for (2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine?
The canonical SMILES for (2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine is CC[C@H]1CC[C@@](C=C(F)F)(CC)N1.
What is the InChIKey of (2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine?
The InChIKey is HNPOMOCYLXWOST-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H17F2N/c1-3-8-5-6-10(4-2,13-8)7-9(11)12/h7-8,13H,3-6H2,1-2H3/t8-,10+/m0/s1.
What are the key properties of (2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine?
(2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine has a molecular weight of 189.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(2,2-difluoroethenyl)-2,5-diethylpyrrolidine is sourced from PubChem (CID 177213219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).