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

C9H17F2NO — CID 153149507

IUPAC[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol
SMILESCC(C)(C)N1CC(F)(F)C[C@@H]1CO
InChIInChI=1S/C9H17F2NO/c1-8(2,3)12-6-9(10,11)4-7(12)5-13/h7,13H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyWAEWMPWDVHKOLV-SSDOTTSWSA-N
MW193.24 g/mol
LogP1.49
Rot. Bonds1

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

[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol (PubChem CID 153149507) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is [(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol
PubChem CID153149507
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol
SMILESCC(C)(C)N1CC(F)(F)C[C@@H]1CO
InChIInChI=1S/C9H17F2NO/c1-8(2,3)12-6-9(10,11)4-7(12)5-13/h7,13H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyWAEWMPWDVHKOLV-SSDOTTSWSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol (CID 153149507) is [(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol is CC(C)(C)N1CC(F)(F)C[C@@H]1CO.
What is the InChIKey of [(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol?
The InChIKey is WAEWMPWDVHKOLV-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(2,3)12-6-9(10,11)4-7(12)5-13/h7,13H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of [(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol?
[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol has a molecular weight of 193.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 153149507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).