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

C8H15F2NO — CID 154990670

IUPAC2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-1-ol
SMILESCC(CO)[C@@H]1CC(F)(F)CN1C
InChIInChI=1S/C8H15F2NO/c1-6(4-12)7-3-8(9,10)5-11(7)2/h6-7,12H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyXYVQGFJFSLJMGS-MLWJPKLSSA-N
MW179.21 g/mol
LogP0.95
Rot. Bonds2

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

2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-1-ol (PubChem CID 154990670) 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-1-ol.

Molecular Properties

Compound Name2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-1-ol
PubChem CID154990670
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-1-ol
SMILESCC(CO)[C@@H]1CC(F)(F)CN1C
InChIInChI=1S/C8H15F2NO/c1-6(4-12)7-3-8(9,10)5-11(7)2/h6-7,12H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyXYVQGFJFSLJMGS-MLWJPKLSSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 59611153
2,2-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 60007094
1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol
CID 67851644
4-(Difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 72338230
(2S)-4-(difluoromethoxymethyl)-1-ethyl-2-propan-2-ylpyrrolidine
CID 129163956
1-[(2S)-4-fluoro-2-propan-2-ylpyrrolidin-1-yl]-2-methylpropan-1-ol
CID 134402692
3,3-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 143016289
(2R)-4-(difluoromethoxymethyl)-2-ethyl-1-propan-2-ylpyrrolidine
CID 146518414
(2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine
CID 146933740
(2R)-4-(difluoromethoxymethyl)-2-ethyl-1-methylpyrrolidine
CID 148725588
[(2R)-1-(2,2-difluoroethyl)-3,5-dimethylpyrrolidin-2-yl]methanol
CID 154990714
((2S,4R)-1-Methyl-4-(trifluoromethyl)pyrrolidin-2-yl)methanol
CID 156117478

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-1-ol (CID 154990670) is 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-1-ol is CC(CO)[C@@H]1CC(F)(F)CN1C.
What is the InChIKey of 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-1-ol?
The InChIKey is XYVQGFJFSLJMGS-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(4-12)7-3-8(9,10)5-11(7)2/h6-7,12H,3-5H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of 2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-1-ol?
2-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]propan-1-ol has a molecular weight of 179.21 g/mol, XLogP of 0.95, 2 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-1-ol is sourced from PubChem (CID 154990670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).