(2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine

C7H13F2N — CID 171827247

IUPAC(2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine
SMILESCC[C@H]1N(C)CCC1(F)F
InChIInChI=1S/C7H13F2N/c1-3-6-7(8,9)4-5-10(6)2/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyUYHINOBACHAAOO-ZCFIWIBFSA-N
MW149.18 g/mol
LogP1.74
Rot. Bonds1

About (2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine

(2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine (PubChem CID 171827247) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is (2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine
PubChem CID171827247
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name(2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine
SMILESCC[C@H]1N(C)CCC1(F)F
InChIInChI=1S/C7H13F2N/c1-3-6-7(8,9)4-5-10(6)2/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyUYHINOBACHAAOO-ZCFIWIBFSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine?
The IUPAC name of (2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine (CID 171827247) is (2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine is CC[C@H]1N(C)CCC1(F)F.
What is the InChIKey of (2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine?
The InChIKey is UYHINOBACHAAOO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13F2N/c1-3-6-7(8,9)4-5-10(6)2/h6H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine?
(2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine has a molecular weight of 149.18 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine is sourced from PubChem (CID 171827247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).