[(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol

C8H15F2NO — CID 169131305

IUPAC[(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol
SMILESCN1CC[C@@H](C(F)F)[C@]1(C)CO
InChIInChI=1S/C8H15F2NO/c1-8(5-12)6(7(9)10)3-4-11(8)2/h6-7,12H,3-5H2,1-2H3/t6-,8-/m0/s1
InChIKeyCPKFEZNRMTXZHQ-XPUUQOCRSA-N
MW179.21 g/mol
LogP0.95
Rot. Bonds2

About [(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol

[(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol (PubChem CID 169131305) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is [(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol
PubChem CID169131305
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name[(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol
SMILESCN1CC[C@@H](C(F)F)[C@]1(C)CO
InChIInChI=1S/C8H15F2NO/c1-8(5-12)6(7(9)10)3-4-11(8)2/h6-7,12H,3-5H2,1-2H3/t6-,8-/m0/s1
InChIKeyCPKFEZNRMTXZHQ-XPUUQOCRSA-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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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol (CID 169131305) is [(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol is CN1CC[C@@H](C(F)F)[C@]1(C)CO.
What is the InChIKey of [(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol?
The InChIKey is CPKFEZNRMTXZHQ-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-8(5-12)6(7(9)10)3-4-11(8)2/h6-7,12H,3-5H2,1-2H3/t6-,8-/m0/s1.
What are the key properties of [(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol?
[(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol 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 [(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 169131305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).