2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol

C11H21F2NO — CID 155201050

IUPAC2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CC(F)(F)CN1C(C)(C)C
InChIInChI=1S/C11H21F2NO/c1-9(2,3)14-7-11(12,13)6-8(14)10(4,5)15/h8,15H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyFFCCKTIVEYLPAV-MRVPVSSYSA-N
MW221.29 g/mol
LogP2.27
Rot. Bonds1

About 2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol

2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol (PubChem CID 155201050) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol
PubChem CID155201050
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CC(F)(F)CN1C(C)(C)C
InChIInChI=1S/C11H21F2NO/c1-9(2,3)14-7-11(12,13)6-8(14)10(4,5)15/h8,15H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyFFCCKTIVEYLPAV-MRVPVSSYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol
CID 10012022
2-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ol
CID 10351807
2-(1-Methylpyrrolidin-2-YL)propan-2-OL
CID 15758090
2-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 118303315
(2-Ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
CID 123449239
2-[4,4-Difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 123623372
3-Fluoro-1,5-di(propan-2-yl)pyrrolidin-3-ol
CID 129229274
1-Ethyl-3-fluoro-5-propan-2-ylpyrrolidin-3-ol
CID 129229375
[1-(2,2-Difluoroethyl)-2-methylpyrrolidin-2-yl]methanol
CID 130634120
[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol
CID 153149507
1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol
CID 155201055
Propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol
CID 163397426

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol (CID 155201050) is 2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol is CC(C)(O)[C@H]1CC(F)(F)CN1C(C)(C)C.
What is the InChIKey of 2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol?
The InChIKey is FFCCKTIVEYLPAV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-9(2,3)14-7-11(12,13)6-8(14)10(4,5)15/h8,15H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of 2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol?
2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol has a molecular weight of 221.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 155201050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).