(2S)-2-butan-2-yl-4,4-difluoropyrrolidine

C8H15F2N — CID 88974962

IUPAC(2S)-2-butan-2-yl-4,4-difluoropyrrolidine
SMILESCCC(C)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C8H15F2N/c1-3-6(2)7-4-8(9,10)5-11-7/h6-7,11H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyHEPUJHKNVCTGJY-MLWJPKLSSA-N
MW163.21 g/mol
LogP2.03
Rot. Bonds2

About (2S)-2-butan-2-yl-4,4-difluoropyrrolidine

(2S)-2-butan-2-yl-4,4-difluoropyrrolidine (PubChem CID 88974962) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is (2S)-2-butan-2-yl-4,4-difluoropyrrolidine.

Molecular Properties

Compound Name(2S)-2-butan-2-yl-4,4-difluoropyrrolidine
PubChem CID88974962
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name(2S)-2-butan-2-yl-4,4-difluoropyrrolidine
SMILESCCC(C)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C8H15F2N/c1-3-6(2)7-4-8(9,10)5-11-7/h6-7,11H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyHEPUJHKNVCTGJY-MLWJPKLSSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-butan-2-yl-4,4-difluoropyrrolidine?
The IUPAC name of (2S)-2-butan-2-yl-4,4-difluoropyrrolidine (CID 88974962) is (2S)-2-butan-2-yl-4,4-difluoropyrrolidine.
What is the SMILES notation for (2S)-2-butan-2-yl-4,4-difluoropyrrolidine?
The canonical SMILES for (2S)-2-butan-2-yl-4,4-difluoropyrrolidine is CCC(C)[C@@H]1CC(F)(F)CN1.
What is the InChIKey of (2S)-2-butan-2-yl-4,4-difluoropyrrolidine?
The InChIKey is HEPUJHKNVCTGJY-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H15F2N/c1-3-6(2)7-4-8(9,10)5-11-7/h6-7,11H,3-5H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (2S)-2-butan-2-yl-4,4-difluoropyrrolidine?
(2S)-2-butan-2-yl-4,4-difluoropyrrolidine has a molecular weight of 163.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butan-2-yl-4,4-difluoropyrrolidine is sourced from PubChem (CID 88974962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).