2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol

C8H15F2NO — CID 165405834

IUPAC2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol
SMILESCN1CC(F)(F)C[C@H]1C(C)(C)O
InChIInChI=1S/C8H15F2NO/c1-7(2,12)6-4-8(9,10)5-11(6)3/h6,12H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyXSWDAAVFBINASA-LURJTMIESA-N
MW179.21 g/mol
LogP1.10
Rot. Bonds1

About 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol

2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol (PubChem CID 165405834) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol
PubChem CID165405834
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol
SMILESCN1CC(F)(F)C[C@H]1C(C)(C)O
InChIInChI=1S/C8H15F2NO/c1-7(2,12)6-4-8(9,10)5-11(6)3/h6,12H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyXSWDAAVFBINASA-LURJTMIESA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol (CID 165405834) is 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol is CN1CC(F)(F)C[C@H]1C(C)(C)O.
What is the InChIKey of 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol?
The InChIKey is XSWDAAVFBINASA-LURJTMIESA-N. The full InChI is InChI=1S/C8H15F2NO/c1-7(2,12)6-4-8(9,10)5-11(6)3/h6,12H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol?
2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol has a molecular weight of 179.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 165405834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).